N-Butyl-11-[(7R,8R,9S,13S,14S,16R,17R)-16-Chloro-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide
[CAS# 131811-54-6]

Identification

• Name: N-Butyl-11-[(7R,8R,9S,13S,14S,16R,17R)-16-Chloro-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-7-Yl]-N-Methylundecanamide
• Synonyms: N-Butyl-11-[(7R,8R,9S,13S,14S,16R,17R)-16-Chloro-3,17-Dihydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-7-Yl]-N-Methyl-Undecanamide; N-N-Butyl-N-Methyl-11-(16'Alpha-Chloro-3',17'Beta-Dihydroxyestra-1',3',5'(10')-Trien-7'Alpha-Yl)Undecanamide; Em 139
• Molecular Formula: C₃₄H₅₄ClNO₃
• Molecular Weight: 560.26
• CAS Registry Number: 131811-54-6
• SMILES: [C@H]23[C@H]1[C@@]([C@@H](O)[C@H](Cl)C1)(CC[C@@H]2C4=C(C[C@H]3CCCCCCCCCCC(=O)N(CCCC)C)C=C(O)C=C4)C
• InChI: 1S/C34H54ClNO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28-,29+,30-,32-,33+,34+/m1/s1
• InChIKey: FQJIZXBCOKNLMR-FTAPQOLWSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 691.248°C at 760 mmHg (Cal.)
• Flash point: 371.853°C (Cal.)