(E,6R)-2,4-dimethyl-6-[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-7-oxidanylidene-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal

Systemtic Name: (E,6R)-2,4-dimethyl-6-[(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-7-oxidanylidene-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enal Openeye Name: (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2,4-dimethyl-hept-2-enal CAS Name: (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2,4-dimethyl-2-heptenal IUPAC Name: (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2,4-dimethylhept-2-enal Traditional Name: (E,6R)-6-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-7-keto-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2,4-dimethyl-hept-2-enal Formula: C31H48O3 MolecularWeight: 468.71102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C1CCC2(C1(CCC3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C)C=C(C)C=O

Isomeric SMILES

C[C@H](CC(C)/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

InChI

InChI=1S/C31H48O3/c1-19(15-20(2)18-32)16-21(3)22-9-14-31(8)27-23(10-13-30(22,31)7)29(6)12-11-26(34)28(4,5)25(29)17-24(27)33/h15,18-19,21-22,25-26,34H,9-14,16-17H2,1-8H3/b20-15+/t19?,21-,22-,25+,26+,29-,30-,31+/m1/s1