[(8R,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: [(8R,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 4-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] ester IUPAC Name: [(8R,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] 4-[[(2S)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid [(8R,9S,10R,13S,14S,17S)-17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] ester Formula: C35H45NO8 MolecularWeight: 607.7337

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCC2C1(C(CC3C2CCC4=CC(=O)CCC34C)OC(=O)CCC(=O)NC(CC5=CC=C(C=C5)O)C(=O)OC)C

Isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)OC)C

InChI

InChI=1S/C35H45NO8/c1-20(37)26-11-12-27-25-10-7-22-18-24(39)15-16-34(22,2)28(25)19-30(35(26,27)3)44-32(41)14-13-31(40)36-29(33(42)43-4)17-21-5-8-23(38)9-6-21/h5-6,8-9,18,25-30,38H,7,10-17,19H2,1-4H3,(H,36,40)/t25-,26+,27-,28-,29-,30?,34-,35+/m0/s1