(8S,9S,13S,14S,17S)-17-[Di(Propan-2-Yl)Carbamoyl]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthrene-3-Carboxylic Acid
[CAS# 124650-99-3]

Identification

• Name: (8S,9S,13S,14S,17S)-17-[Di(Propan-2-Yl)Carbamoyl]-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-(Diisopropylcarbamoyl)-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3-Carboxylic Acid; (8S,9S,13S,14S,17S)-17-[(Diisopropylamino)-Oxomethyl]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthrene-3-Carboxylic Acid; 17-(N,N-Diisopropylcarboxamide)Estra-1,3,5(10)-Triene-3-Carboxylic Acid
• Molecular Formula: C₂₆H₃₇NO₃
• Molecular Weight: 411.58
• CAS Registry Number: 124650-99-3
• SMILES: [C@H]34[C@H]2[C@@H](C1=C(C=C(C(O)=O)C=C1)CC2)CC[C@@]3([C@@H](C(N(C(C)C)C(C)C)=O)CC4)C
• InChI: 1S/C26H37NO3/c1-15(2)27(16(3)4)24(28)23-11-10-22-21-9-6-17-14-18(25(29)30)7-8-19(17)20(21)12-13-26(22,23)5/h7-8,14-16,20-23H,6,9-13H2,1-5H3,(H,29,30)/t20-,21-,22+,23-,26+/m1/s1
• InChIKey: VXKTZBKORWNMBL-OPMJLWCUSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 565.162°C at 760 mmHg (Cal.)
• Flash point: 295.599°C (Cal.)