4-[[(6S,8R,9S,13S,14S,16R)-13-methyl-3,16-bis(oxidanyl)-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(6S,8R,9S,13S,14S,16R)-13-methyl-3,16-bis(oxidanyl)-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(6S,8R,9S,13S,14S,16R)-3,16-dihydroxy-17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-6-yl]oxy]-4-keto-butyric acid Formula: C22H26O7 MolecularWeight: 402.43764

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(C2=O)O)CC(C4=C3C=CC(=C4)O)OC(=O)CCC(=O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)C[C@@H](C4=C3C=CC(=C4)O)OC(=O)CCC(=O)O

InChI

InChI=1S/C22H26O7/c1-22-7-6-13-12-3-2-11(23)8-15(12)18(29-20(27)5-4-19(25)26)9-14(13)16(22)10-17(24)21(22)28/h2-3,8,13-14,16-18,23-24H,4-7,9-10H2,1H3,(H,25,26)/t13-,14-,16+,17-,18+,22+/m1/s1