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

Systemtic Name: methyl (2R,5S)-6-methyl-5,6-bis(oxidanyl)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxidanylidene-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate Openeye Name: methyl (2R,5S)-5,6-dihydroxy-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate CAS Name: (2R,5S)-5,6-dihydroxy-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid methyl ester IUPAC Name: methyl (2R,5S)-5,6-dihydroxy-6-methyl-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptanoate Traditional Name: (2R,5S)-5,6-dihydroxy-2-[(5R,10S,13R,14R,17R)-3-keto-4,4,10,13,14-pentamethyl-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-enanthic acid methyl ester Formula: C31H50O5 MolecularWeight: 502.7257

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3=C(C2(CCC1=O)C)CCC4(C3(CCC4C(CCC(C(C)(C)O)O)C(=O)OC)C)C)C

Isomeric SMILES

C[C@]12CCC3=C([C@@]1(CC[C@@H]2[C@@H](CC[C@@H](C(C)(C)O)O)C(=O)OC)C)CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C

InChI

InChI=1S/C31H50O5/c1-27(2)23-11-10-22-21(29(23,5)16-15-24(27)32)14-18-30(6)20(13-17-31(22,30)7)19(26(34)36-8)9-12-25(33)28(3,4)35/h19-20,23,25,33,35H,9-18H2,1-8H3/t19-,20-,23+,25+,29-,30-,31+/m1/s1