(3S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid

Systemtic Name: (3S,10R,13R,14S,17R)-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid Openeye Name: (3S,10R,13R,14S,17R)-17-(1,5-dimethylhexyl)-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid CAS Name: (3S,10R,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid IUPAC Name: (3S,10R,13R,14S,17R)-3-hydroxy-4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid Traditional Name: (3S,10R,13R,14S,17R)-17-(1,5-dimethylhexyl)-3-hydroxy-4,4,10,13-tetramethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-14-carboxylic acid Formula: C30H50O3 MolecularWeight: 458.7162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C(=O)O

Isomeric SMILES

CC(C)CCCC(C)[C@H]1CC[C@@]2([C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C(=O)O

InChI

InChI=1S/C30H50O3/c1-19(2)9-8-10-20(3)21-14-18-30(26(32)33)23-11-12-24-27(4,5)25(31)15-16-28(24,6)22(23)13-17-29(21,30)7/h11,19-22,24-25,31H,8-10,12-18H2,1-7H3,(H,32,33)/t20?,21-,22?,24?,25+,28-,29-,30+/m1/s1