[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
[CAS# 94201-44-2]

Identification

• Name: [(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] hexanoate
• Synonyms: 3β,17-dihydroxypregn-5-en-20-one 17-hexanoate
• Molecular Formula: C₂₇H₄₂O₄
• Molecular Weight: 430.62
• CAS Registry Number: 94201-44-2
• EINECS: 303-630-7
• SMILES: CC(=O)[C@@]3(OC(=O)CCCCC)CC[C@H]2[C@@H]4CC=C1C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C
• InChI: 1S/C27H42O4/c1-5-6-7-8-24(30)31-27(18(2)28)16-13-23-21-10-9-19-17-20(29)11-14-25(19,3)22(21)12-15-26(23,27)4/h9,20-23,29H,5-8,10-17H2,1-4H3/t20-,21+,22-,23-,25-,26-,27-/m0/s1
• InChIKey: UNRVSFSDQNHLOX-YOEZIVMMSA-N

Properties

• Density: 1.105g/cm³ (Cal.)
• Boiling point: 533.462°C at 760 mmHg (Cal.)
• Flash point: 168.966°C (Cal.)