(4S,5R,9R,10R,13S,14S,17R)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxidanylidene-hept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (4S,5R,9R,10R,13S,14S,17R)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxidanylidene-hept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (4S,5R,9R,10R,13S,14S,17R)-17-[(1S)-1,5-dimethyl-3-oxo-hex-4-enyl]-4-(hydroxymethyl)-4,10,13,14-tetramethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (4S,5R,9R,10R,13S,14S,17R)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (4S,5R,9R,10R,13S,14S,17R)-4-(hydroxymethyl)-4,10,13,14-tetramethyl-17-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (4S,5R,9R,10R,13S,14S,17R)-17-[(1S)-3-keto-1,5-dimethyl-hex-4-enyl]-4,10,13,14-tetramethyl-4-methylol-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Formula: C30H46O3 MolecularWeight: 454.68444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](CC(=O)C=C(C)C)[C@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)[C@]4(C)CO)C)C)C

InChI

InChI=1S/C30H46O3/c1-19(2)16-21(32)17-20(3)22-10-14-30(7)24-8-9-25-27(4,23(24)11-15-29(22,30)6)13-12-26(33)28(25,5)18-31/h8,16,20,22-23,25,31H,9-15,17-18H2,1-7H3/t20-,22+,23-,25+,27+,28+,29-,30+/m0/s1