(3b,22E)-Ergosta-5,7,22-trien-3b-ol 3-acetate
[CAS# 2418-45-3]

Identification

• Name: (3b,22E)-Ergosta-5,7,22-trien-3b-ol 3-acetate
• Synonyms: [(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(E,1R,4R)-1,4,5-Trimethylhex-2-Enyl]-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-Dimethylhept-3-En-2-Yl]-10,13-Dimethyl-2,3,4,9,11,12,14,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₃₀H₄₆O₂
• Molecular Weight: 438.69
• CAS Registry Number: 2418-45-3
• EINECS: 219-335-0
• SMILES: [C@]34([C@H](C2=CC=C1C[C@@H](OC(=O)C)CC[C@@]1([C@H]2CC3)C)CC[C@@H]4[C@@H](/C=C/[C@@H](C(C)C)C)C)C
• InChI: 1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+/t20-,21+,24-,26+,27-,28-,29-,30+/m0/s1
• InChIKey: NGEVNHYPVVOXPB-RZZBNZQCSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 512.987°C at 760 mmHg (Cal.)
• Flash point: 261.15°C (Cal.)

References

• (1): Yusuke Kasai, Nobuaki Matsumori, Hiroyuki Ueno, Kenichi Nonomura, Shinya Yano, Murata Michio and Tohru Oishi. Synthesis of 6-F-ergosterol and its influence on membrane-permeabilization of amphotericin B and amphidinol 3, Org. Biomol. Chem., 2011, 9, 1437.