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  1. Hederagenin
    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...
  2. Oleanolic acid
    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...
  3. Echinocystic acid
      Grade & Purity: 
    • ≥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 |...
  4. danazol, Agonist of Androgen receptor
    Cas#: 17230-88-5        Compound CID:  28417
    Formula:  C22H27NO2        Molecular Weight: 337.46
    IUPAC Name: (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
    SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5
    InChIKey: POZRVZJJTULAOH-LHZXLZLDSA-N
    InChI: InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1
    Synonyms: 17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol} | N29QWW3BUO | (1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimet...
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