Acnistin A
[CAS# 77011-62-2]

Identification

• Name: Acnistin A
• Synonyms: Androst-2-En-1One, 5,16-Epoxy-17-Hydroxy-17-(4-Hydroxy-4,5-Dimethyl-3-Oxo-2-Oxabicyclo(3.2.1)Oct-7-Yl)-, (5Beta,6Beta,17Beta,17(1R,4R,5R,7S))-
• Molecular Formula: C₂₈H₃₈O₆
• Molecular Weight: 470.60
• CAS Registry Number: 77011-62-2
• SMILES: [C@H]17OC([C@]([C@](C[C@@H]1[C@]4(CCC5C3C[C@H]6[C@@]2(CC=CC([C@@]2(C3CC[C@]45C)C)=O)O6)O)(C7)C)(C)O)=O
• InChI: 1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15?,16?,17?,18-,19+,21-,23+,24-,25-,26-,27-,28+/m0/s1
• InChIKey: RNORCGKHUAMBKR-APLCASCJSA-N

Properties

• Density: 1.325g/cm³ (Cal.)
• Boiling point: 629.455°C at 760 mmHg (Cal.)
• Flash point: 208.433°C (Cal.)