(3S,6S,10R,13R,15R,17R)-17-[(5R)-5-(2-hydroxyethyl)-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol

Systemtic Name: (3S,6S,10R,13R,15R,17R)-17-[(5R)-5-(2-hydroxyethyl)-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol Openeye Name: (3S,6S,10R,13R,15R,17R)-17-[(4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol CAS Name: (3S,6S,10R,13R,15R,17R)-17-[(5R)-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol IUPAC Name: (3S,6S,10R,13R,15R,17R)-17-[(5R)-5-(2-hydroxyethyl)-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol Traditional Name: (3S,6S,10R,13R,15R,17R)-17-[(4R)-4-(2-hydroxyethyl)-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6,15-triol Formula: C29H52O4 MolecularWeight: 464.72078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C)C1CC(C2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)O)CCO

Isomeric SMILES

CC(C)[C@H](CCC(C)[C@H]1C[C@H](C2[C@@]1(CCC3C2C[C@@H](C4[C@@]3(CC[C@@H](C4)O)C)O)C)O)CCO

InChI

InChI=1S/C29H52O4/c1-17(2)19(10-13-30)7-6-18(3)23-16-26(33)27-21-15-25(32)24-14-20(31)8-11-28(24,4)22(21)9-12-29(23,27)5/h17-27,30-33H,6-16H2,1-5H3/t18?,19-,20+,21?,22?,23-,24?,25+,26-,27?,28-,29-/m1/s1