9-[[(3S,8R,9S,10R,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-9-oxidanylidene-nonanoic acid

Systemtic Name: 9-[[(3S,8R,9S,10R,13R,14S,17R)-10,13-dimethyl-14-oxidanyl-17-(6-oxidanylidenepyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-9-oxidanylidene-nonanoic acid Openeye Name: 9-[[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-9-oxo-nonanoic acid CAS Name: 9-[[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-9-oxononanoic acid IUPAC Name: 9-[[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-9-oxononanoic acid Traditional Name: 9-[[(3S,8R,9S,10R,13R,14S,17R)-14-hydroxy-17-(6-ketopyran-3-yl)-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-9-keto-pelargonic acid Formula: C33H46O7 MolecularWeight: 554.71414

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C=C1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OC(=O)CCCCCCCC(=O)O

Isomeric SMILES

C[C@]12CC[C@@H](C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)OC(=O)CCCCCCCC(=O)O

InChI

InChI=1S/C33H46O7/c1-31-17-14-24(40-30(37)9-7-5-3-4-6-8-28(34)35)20-23(31)11-12-27-26(31)15-18-32(2)25(16-19-33(27,32)38)22-10-13-29(36)39-21-22/h10,13,20-21,24-27,38H,3-9,11-12,14-19H2,1-2H3,(H,34,35)/t24-,25+,26-,27+,31-,32+,33-/m0/s1