Acnistin E
[CAS# 76994-39-3]

Identification

• Name: Acnistin E
• Synonyms: Aids031215; Cyclopenta[1,2]Phenanthro[8A,9-B]Oxiren-1(4H)-One, 5A,6,6A,6B,7,8,9,9A,10,11,11A,11B-Dodecahydro-4,9-Dihydroxy-9-[(1S,4R,5S)-4-Hydroxy-4,5-Dimethyl-3-Oxo-2-Oxabicyclo[3.2.1]Oct-7-Yl]-9A,11B-Dimethyl-, (4S,4Ar,5Ar,6As,6Bs,9R,9As,11As,11Br)-; Acnistin E
• Molecular Formula: C₂₈H₃₈O₇
• Molecular Weight: 486.60
• CAS Registry Number: 76994-39-3
• SMILES: [C@]237[C@@]([C@H]1CC[C@]4([C@H]([C@@H]1C[C@H]2O3)CC[C@]4(C5[C@H]6OC(=O)[C@@]([C@](C5)(C)C6)(O)C)O)C)(C(=O)C=C[C@@H]7O)C
• InChI: 1S/C28H38O7/c1-23-12-17(18(13-23)34-22(31)26(23,4)32)27(33)10-8-15-14-11-21-28(35-21)20(30)6-5-19(29)25(28,3)16(14)7-9-24(15,27)2/h5-6,14-18,20-21,30,32-33H,7-13H2,1-4H3/t14-,15-,16-,17?,18-,20-,21+,23-,24-,25-,26-,27+,28+/m0/s1
• InChIKey: FKQUQCYOBZEPTK-LOBFLEJSSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 673.853°C at 760 mmHg (Cal.)
• Flash point: 224.251°C (Cal.)