Reference Materials-Aladdin Scientific

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Tetrachloro-1,4-benzoquinone
Cas#: 118-75-2 Compound CID: 8371

Formula: C₆Cl₄O₂ Molecular Weight: 245.88

IUPAC Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione

SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl

InChIKey: UGNWTBMOAKPKBL-UHFFFAOYSA-N

InChI: InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Synonyms: 2,3,5,6-Tetrachloro-p-benzoquinone | DivK1c_006946 | EN300-18125 | Spectrum5_001386 | Spergon | 2,5,6-Tetrachloroquin...
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Cholic acid, Agonist of Farnesoid X receptor;Agonist of GPBA receptor
- ≥98%
Cas#: 81-25-4 Compound CID: 221493

Formula: C₂₄H₄₀O₅ Molecular Weight: 408.57

IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

InChIKey: BHQCQFFYRZLCQQ-OELDTZBJSA-N

InChI: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

Synonyms: 5b-Cholic acid | 5beta-Cholan-24-oic acid, 3alpha,7alpha,12alpha-trihydroxy- | cholicacid | cholic-acid | MFCD0000367...
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Corticosterone, Agonist of Glucocorticoid receptor;Agonist of Mineralocorticoid receptor
Cas#: 50-22-6 Compound CID: 5753

Formula: C₂₁H₃₀O₄ Molecular Weight: 346.46

IUPAC Name: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O

InChIKey: OMFXVFTZEKFJBZ-HJTSIMOOSA-N

InChI: InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1

Synonyms: (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydroc...
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Chenodeoxycholic acid, Agonist of Farnesoid X receptor;Antagonist of FPR1;Agonist of GPBA receptor
Cas#: 474-25-9

Formula: C₂₄H₄₀O₄ Molecular Weight: 392.58

IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N

InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

Synonyms: (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p...
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Oleanolic acid
- ≥98%
Cas#: 508-02-1 Compound CID: 10494

Formula: C₃₀H₄₈O₃ Molecular Weight: 456.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C

InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N

InChI: InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1

Synonyms: Caryophyllin | OLEANOLIC_ACID | SMR000445561 | Oleanolic acid, analytical standard | OLEANOLIC ACID (CONSTITUENT OF H...
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Androsterone
Cas#: 53-41-8 Compound CID: 5879

Formula: C₁₉H₃₀O₂ Molecular Weight: 290.44

IUPAC Name: (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O

InChIKey: QGXBDMJGAMFCBF-HLUDHZFRSA-N

InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1

Synonyms: (1S,2S,5R,7S,10R,11S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one | Prestwick3_00...
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Betulinic acid, Agonist of GPBA receptor
- ≥98%
Cas#: 472-15-1 Compound CID: 64971

Formula: C₃₀H₄₈O₃ Molecular Weight: 456.7

IUPAC Name: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)O

InChIKey: QGJZLNKBHJESQX-FZFNOLFKSA-N

InChI: InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1

Synonyms: (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,1...
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Dehydroepiandrosterone solution
- 1.00mg/ml in methanol
Cas#: 53-43-0(Methanol)

Formula:

Synonyms: (+)-Dehydroisoandrosterone 3β-Hydroxy-5-androsten-17-one 5-Androsten-3β-ol-17-one Dehydroepiandrosterone Dehydroisoan...
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Deoxycholic acid, Agonist of Farnesoid X receptor;Antagonist of FPR1;Agonist of GPBA receptor
- ≥99%
Cas#: 83-44-3 Compound CID: 222528

Formula: C₂₄H₄₀O₄ Molecular Weight: 392.58

IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N

InChI: InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1

Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahy...
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Estriol, Estrogen receptor modulator
Cas#: 50-27-1 Compound CID: 5756

Formula: C₁₈H₂₄O₃ Molecular Weight: 288.38

IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

InChIKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N

InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

Synonyms: A 13610 | Chlorapatite | Estriol, unconjugated | Overstin | Tridestrin | Estriel (TN) | ESTRIOL [MART.] | Estriol [US...
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Estrone, Estrogen receptor alpha agonist
Cas#: 53-16-7 Compound CID: 5870

Formula: C₁₈H₂₂O₂ Molecular Weight: 270.37

IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O

InChIKey: DNXHEGUUPJUMQT-CBZIJGRNSA-N

InChI: InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

Synonyms: 2DI9HA706A | Cristallovar | delta-1,3,5-estratrien-3-beta-ol-17-one | delta-1,3,5-Estratrien-3beta-ol-17-one | ESTRON...
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Naringenin
- ≥98%
Cas#: 480-41-1 Compound CID: 439246

Formula: C₁₅H₁₂O₅ Molecular Weight: 272.25

IUPAC Name: (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

SMILES: C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O

InChIKey: FTVWIRXFELQLPI-ZDUSSCGKSA-N

InChI: InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1

Synonyms: S-Dihydrogenistein | NSC 34875 | pelargidanon 1602 | Salipurol | NSC 11855
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