(8S,9S,13S,14S,17S)-17-(Tert-Butylcarbamoyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3-Carboxylic Acid
[CAS# 124651-01-0]

Identification

• Name: (8S,9S,13S,14S,17S)-17-(Tert-Butylcarbamoyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3-Carboxylic Acid
• Synonyms: (8S,9S,13S,14S,17S)-17-[(Tert-Butylamino)-Oxomethyl]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3-Carboxylic Acid; 17-(N-T-Butylcarboxamide)Estra-1,3,5(10)-Triene-3-Carboxylic Acid; 17-Bcetca
• Molecular Formula: C₂₄H₃₃NO₃
• Molecular Weight: 383.53
• CAS Registry Number: 124651-01-0
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)C(=O)O)[C@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)NC(C)(C)C)C
• InChI: 1S/C24H33NO3/c1-23(2,3)25-21(26)20-10-9-19-18-8-5-14-13-15(22(27)28)6-7-16(14)17(18)11-12-24(19,20)4/h6-7,13,17-20H,5,8-12H2,1-4H3,(H,25,26)(H,27,28)/t17-,18-,19+,20-,24+/m1/s1
• InChIKey: XDFFJSAVOUJVAR-OCWLBIEKSA-N

Properties

• Density: 1.13g/cm³ (Cal.)
• Boiling point: 581.998°C at 760 mmHg (Cal.)
• Flash point: 305.782°C (Cal.)