[(10R,12S,13S,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
[CAS# 110988-79-9]

Identification

• Name: [(10R,12S,13S,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
• Synonyms: [(10R,12S,13S,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; 4-[[(1S)-1-[(4-Hydroxyphenyl)Methyl]-2-Methoxy-2-Oxoethyl]Amino]-4-Oxobutanoic Acid [(10R,12S,13S,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; 4-[[(1S)-1-(4-Hydroxybenzyl)-2-Keto-2-Methoxy-Ethyl]Amino]-4-Keto-Butyric Acid [(10R,12S,13S,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
• Molecular Formula: C₃₅H₄₅NO₈
• Molecular Weight: 607.74
• CAS Registry Number: 110988-79-9
• SMILES: [C@H](C(=O)OC)(NC(CCC(=O)O[C@@H]3[C@]4(C(C2CCC1=CC(CC[C@@]1(C2C3)C)=O)CC[C@@H]4C(C)=O)C)=O)CC5=CC=C(O)C=C5
• 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-/m1/s1
• InChIKey: QDRIHLHORYETQU-YXGNROOXSA-N

Properties

• Density: 1.255g/cm³ (Cal.)
• Boiling point: 788.393°C at 760 mmHg (Cal.)
• Flash point: 430.605°C (Cal.)