5-[[(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]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[(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]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[(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]-5-oxo-pentanoic acid CAS Name: 5-[[(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]-5-oxopentanoic acid IUPAC Name: 5-[[(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]-5-oxopentanoic acid Traditional Name: 5-[[(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]-5-keto-valeric acid Formula: C29H38O7 MolecularWeight: 498.60782

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H38O7/c1-27-13-10-20(36-26(33)5-3-4-24(30)31)16-19(27)7-8-23-22(27)11-14-28(2)21(12-15-29(23,28)34)18-6-9-25(32)35-17-18/h6,9,16-17,20-23,34H,3-5,7-8,10-15H2,1-2H3,(H,30,31)/t20-,21+,22-,23+,27-,28+,29-/m0/s1