4-[(4R)-4-[(5S,7R,10S,12S,13R,14S)-10,13-dimethyl-7,12-bis(oxidanyl)-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4R)-4-[(5S,7R,10S,12S,13R,14S)-10,13-dimethyl-7,12-bis(oxidanyl)-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4R)-4-[(5S,7R,10S,12S,13R,14S)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-oxo-butanoic acid CAS Name: 4-[(4R)-4-[(5S,7R,10S,12S,13R,14S)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-oxobutanoic acid IUPAC Name: 4-[(4R)-4-[(5S,7R,10S,12S,13R,14S)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-oxobutanoic acid Traditional Name: 4-[(4R)-4-[(5S,7R,10S,12S,13R,14S)-7,12-dihydroxy-3-keto-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentoxy]-4-keto-butyric acid Formula: C28H44O7 MolecularWeight: 492.64476

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCOC(=O)CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(=O)C4)C)O)O)C

Isomeric SMILES

C[C@H](CCCOC(=O)CCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4)C)O)O)C

InChI

InChI=1S/C28H44O7/c1-16(5-4-12-35-25(34)9-8-24(32)33)19-6-7-20-26-21(15-23(31)28(19,20)3)27(2)11-10-18(29)13-17(27)14-22(26)30/h16-17,19-23,26,30-31H,4-15H2,1-3H3,(H,32,33)/t16-,17-,19?,20+,21?,22-,23+,26?,27+,28-/m1/s1