(8S,9R,10S,13S,14S,17S)-17-ethanoyl-13-[3-[4-(hydroxymethyl)phenyl]propyl]-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9R,10S,13S,14S,17S)-17-ethanoyl-13-[3-[4-(hydroxymethyl)phenyl]propyl]-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9R,10S,13S,14S,17S)-17-acetyl-13-[3-[4-(hydroxymethyl)phenyl]propyl]-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9R,10S,13S,14S,17S)-17-acetyl-13-[3-[4-(hydroxymethyl)phenyl]propyl]-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9R,10S,13S,14S,17S)-17-acetyl-13-[3-[4-(hydroxymethyl)phenyl]propyl]-10-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9R,10S,13S,14S,17S)-17-acetyl-10-methyl-13-[3-(4-methylolphenyl)propyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Formula: C30H40O3 MolecularWeight: 448.6368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)CCCC5=CC=C(C=C5)CO

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@@]34C)CCCC5=CC=C(C=C5)CO

InChI

InChI=1S/C30H40O3/c1-20(32)26-11-12-28-25-10-9-23-18-24(33)13-16-29(23,2)27(25)14-17-30(26,28)15-3-4-21-5-7-22(19-31)8-6-21/h5-8,18,25-28,31H,3-4,9-17,19H2,1-2H3/t25-,26-,27-,28+,29-,30-/m1/s1