4-oxidanylidene-4-[[(3S,10S,13R,17R)-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[(3S,10S,13R,17R)-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]butanoic acid Openeye Name: 4-[[(3S,10S,13R,17R)-17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[(3S,10S,13R,17R)-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]butanoic acid IUPAC Name: 4-oxo-4-[[(3S,10S,13R,17R)-4,4,10,13-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]butanoic acid Traditional Name: 4-[[(3S,10S,13R,17R)-17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid Formula: C33H50O4 MolecularWeight: 510.7477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C1CC=C2C1(CCC3=C2CCC4C3(CCC(C4(C)C)OC(=O)CCC(=O)O)C)C

Isomeric SMILES

CC(CCC=C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4(C)C)OC(=O)CCC(=O)O)C)C

InChI

InChI=1S/C33H50O4/c1-21(2)9-8-10-22(3)24-12-13-25-23-11-14-27-31(4,5)28(37-30(36)16-15-29(34)35)18-20-33(27,7)26(23)17-19-32(24,25)6/h9,13,22,24,27-28H,8,10-12,14-20H2,1-7H3,(H,34,35)/t22?,24-,27?,28+,32-,33-/m1/s1