4-[[(3R,5S,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3R,5S,8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3R,5S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(3R,5S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(3R,5S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(3R,5S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4C3(C=CC(C4)OC(=O)CCC(=O)O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H36O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h10,12,16-21H,4-9,11,13-14H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21-,24-,25+/m0/s1