(3beta(9Z,12Z),5alpha,8alpha)-5,8-Epidioxyergosta-6,22-Dien-3-Ol 9,12-Ocatadecadienoate
[CAS# 138329-20-1]

Identification

• Name: (3beta(9Z,12Z),5alpha,8alpha)-5,8-Epidioxyergosta-6,22-Dien-3-Ol 9,12-Ocatadecadienoate
• Synonyms: 5,8-Eedyl; 5,8-Epidioxyergosta-6,22-Dien-3-Yl Linoleate; Ergosta-6,22-Dien-3-Ol, 5,8-Epidioxy-, 9,12-Ocatadecadienoate, (3Beta(9Z,12Z),5Alpha,8Alpha)-
• Molecular Formula: C₄₆H₇₄O₄
• Molecular Weight: 691.09
• CAS Registry Number: 138329-20-1
• SMILES: [C@@H]5([C@@H](\C=C\[C@H](C)C(C)C)C)[C@@]3([C@H](C24C=CC1(C[C@H](CC[C@@]1([C@H]2CC3)C)OC(CCCCCCC\C=C\C\C=C\CCCCC)=O)OO4)CC5)C
• InChI: 1S/C46H74O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-42(47)48-38-28-31-44(7)41-29-30-43(6)39(37(5)25-24-36(4)35(2)3)26-27-40(43)46(41)33-32-45(44,34-38)49-50-46/h12-13,15-16,24-25,32-33,35-41H,8-11,14,17-23,26-31,34H2,1-7H3/b13-12+,16-15+,25-24+/t36-,37+,38-,39+,40+,41+,43+,44+,45?,46?/m0/s1
• InChIKey: RVFYKXQFSWLLPU-GIOMKEJWSA-N

Properties

• Density: 1.022g/cm³ (Cal.)
• Boiling point: 692.67°C at 760 mmHg (Cal.)
• Flash point: 271.969°C (Cal.)