(10S,13R,14R,15S,17R)-17-[(2R)-6-(hydroxymethyl)-7-oxidanyl-hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-15-oxidanyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (10S,13R,14R,15S,17R)-17-[(2R)-6-(hydroxymethyl)-7-oxidanyl-hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-15-oxidanyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Openeye Name: (10S,13R,14R,15S,17R)-15-hydroxy-17-[(1R)-6-hydroxy-5-(hydroxymethyl)-1-methyl-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one CAS Name: (10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (10S,13R,14R,15S,17R)-15-hydroxy-17-[(2R)-7-hydroxy-6-(hydroxymethyl)hept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Traditional Name: (10S,13R,14R,15S,17R)-15-hydroxy-17-[(1R)-6-hydroxy-1-methyl-5-methylol-hex-4-enyl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one Formula: C30H46O4 MolecularWeight: 470.68384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(CO)CO)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)O

Isomeric SMILES

C[C@H](CCC=C(CO)CO)[C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CCC(=O)C4(C)C)C)C)C)O

InChI

InChI=1S/C30H46O4/c1-19(8-7-9-20(17-31)18-32)23-16-26(34)30(6)22-10-11-24-27(2,3)25(33)13-14-28(24,4)21(22)12-15-29(23,30)5/h9-10,12,19,23-24,26,31-32,34H,7-8,11,13-18H2,1-6H3/t19-,23-,24?,26+,28-,29-,30-/m1/s1