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

Systemtic Name: (5S,8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(2S)-6-methyl-2-oxidanyl-heptan-2-yl]-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione Openeye Name: (5S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione CAS Name: (5S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione IUPAC Name: (5S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-dione Traditional Name: (5S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-5,6,7,8,9,11,12,14,15,17-decahydro-4H-cyclopenta[a]phenanthrene-3,16-quinone Formula: C27H42O3 MolecularWeight: 414.62058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(C1C(=O)CC2C1(CCC3C2CCC4C3(C=CC(=O)C4)C)C)O

Isomeric SMILES

CC(C)CCC[C@@](C)([C@H]1C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)C4)C)C)O

InChI

InChI=1S/C27H42O3/c1-17(2)7-6-12-27(5,30)24-23(29)16-22-20-9-8-18-15-19(28)10-13-25(18,3)21(20)11-14-26(22,24)4/h10,13,17-18,20-22,24,30H,6-9,11-12,14-16H2,1-5H3/t18-,20+,21-,22-,24-,25-,26-,27-/m0/s1