Reference Materials-Aladdin Scientific

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Hederagenin
- ≥98%
Cas#: 465-99-6 Compound CID: 73299

Formula: C₃₀H₄₈O₄ Molecular Weight: 472.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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)CO)O)C)C)C2C1)C)C(=O)O)C

InChIKey: PGOYMURMZNDHNS-MYPRUECHSA-N

InChI: InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

Synonyms: Olean-12-en-28-oic acid, 3.beta.,23-dihydroxy- | AKOS016036289 | BDBM50442880 | CCG-269472 | (3-beta,4-alpha)-3,23-Di...
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Curcumin, Inhibitor of E1A binding protein p300;Activator of TRPV4
Cas#: 458-37-7 Compound CID: 969516

Formula: C₂₁H₂₀O₆ Molecular Weight: 368.38

IUPAC Name: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione

SMILES: COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O

InChIKey: VFLDPWHFBUODDF-FCXRPNKRSA-N

InChI: InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+

Synonyms: BIDD:ER0479 | Golden seal | NSC 687842 | Ukon (dye) | Victory 19 Virus Out | CURCUMIN (MART.) | Yellow Ginger | Zlut ...
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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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6-Propyl-2-thiouracil, Thyroid peroxidase inhibitor
Cas#: 51-52-5 Compound CID: 657298

Formula: C₇H₁₀N₂OS Molecular Weight: 170.23

IUPAC Name: 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one

SMILES: CCCC1=CC(=O)NC(=S)N1

InChIKey: KNAHARQHSZJURB-UHFFFAOYSA-N

InChI: InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11)

Synonyms: BSPBio_000387 | PROPYLTHIOURACIL [IARC] | PROPYLTHIOURACIL [EP MONOGRAPH] | Propylthiouracil; 2,3-dihydro-6-propyl-2-...
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Echinocystic acid
- ≥98%
Cas#: 510-30-5 Compound CID: 73309

Formula: C₃₀H₄₈O₄ Molecular Weight: 472.7

IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-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(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C

InChIKey: YKOPWPOFWMYZJZ-PRIAQAIDSA-N

InChI: InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1

Synonyms: AKOS032962084 | EINECS 208-112-3 | Z3251707616 | C08942 | (3.beta.,16.alpha.)-3,16-Dihydroxyolean-12-en-28-oic acid |...
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8-Methoxypsoralen, Agonist of TAS2R20
- ≥98%
Cas#: 298-81-7 Compound CID: 4114

Formula: C₁₂H₈O₄ Molecular Weight: 216.19

IUPAC Name: 9-methoxyfuro[3,2-g]chromen-7-one

SMILES: COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2

InChIKey: QXKHYNVANLEOEG-UHFFFAOYSA-N

InChI: InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3

Synonyms: 8-MOP | 9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE | 9-Methoxy-7H-furo(3,2-g)benzopyran-7-one | 9-Methoxy-7H-furo[3,2-g]ch...
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Echinocystic acid
- 10mM in DMSO
Cas#: 510-30-5 Compound CID: 73309

Formula: C₃₀H₄₈O₄ Molecular Weight: 472.7

IUPAC Name: (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-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(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C(=O)O)C

InChIKey: YKOPWPOFWMYZJZ-PRIAQAIDSA-N

InChI: InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,27-,28+,29+,30+/m0/s1

Synonyms: Echinocystic acid|510-30-5|CHEBI:4747|L4DUW10YOF|CHEMBL230128|UNII-L4DUW10YOF|(3beta,16alpha)-3,16-Dihydroxyolean-12-...
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Hederagenin
- 10mM in DMSO
Cas#: 465-99-6 Compound CID: 73299

Formula: C₃₀H₄₈O₄ Molecular Weight: 472.7

IUPAC Name: (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-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)CO)O)C)C)C2C1)C)C(=O)O)C

InChIKey: PGOYMURMZNDHNS-MYPRUECHSA-N

InChI: InChI=1S/C30H48O4/c1-25(2)13-15-30(24(33)34)16-14-28(5)19(20(30)17-25)7-8-22-26(3)11-10-23(32)27(4,18-31)21(26)9-12-29(22,28)6/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1

Synonyms: Olean-12-en-28-oic acid, 3.beta.,23-dihydroxy- | AKOS016036289 | BDBM50442880 | CCG-269472 | (3-beta,4-alpha)-3,23-Di...
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Psoralen
- ≥98%
Cas#: 66-97-7 Compound CID: 6199

Formula: C₁₁H₆NO₃ Molecular Weight: 186.16

IUPAC Name: furo[3,2-g]chromen-7-one

SMILES: C1=CC(=O)OC2=CC3=C(C=CO3)C=C21

InChIKey: ZCCUUQDIBDJBTK-UHFFFAOYSA-N

InChI: InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H

Synonyms: 7H-Furo(3,2-g)(1)benzopyran-7-one | BRD-K47264279-001-01-4 | DTXSID00216205 | 6-hydroxy-5-benzofuranacrylic Acid deta...
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Rotundine
- ≥98%(HPLC)
Cas#: 10097-84-4 Compound CID: 5417

Formula: C₂₁H₂₅NO₄ Molecular Weight: 355.427

IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N

InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3

Synonyms: tetrahydropalmatine|2934-97-6|Rotundine|10097-84-4|DL-Tetrahydropalmatine|ROTUNDINUM|corydalis B|Hyndarin|Tetrahydrop...
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Tetrahydropalmatine
- ≥97%
Cas#: 2934-97-6 Compound CID: 5417

Formula: C₂₁H₂₅NO₄ Molecular Weight: 355.427

IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N

InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3

Synonyms: 2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline | FT-0634567 | NCGC00073008-04 | 6H-Dibenz...
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Tetrahydropalmatine
- 10mM in DMSO
Cas#: 2934-97-6 Compound CID: 5417

Formula: C₂₁H₂₅NO₄ Molecular Weight: 355.427

IUPAC Name: 2,3,9,10-tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline

SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)OC)OC)C=C1)OC

InChIKey: AEQDJSLRWYMAQI-UHFFFAOYSA-N

InChI: InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3

Synonyms: tetrahydropalmatine|2934-97-6|Rotundine|10097-84-4|DL-Tetrahydropalmatine|ROTUNDINUM|corydalis B|Hyndarin|Tetrahydrop...
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