(1R,2R,5R,6R,10R,13S,15R)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0^1,9.0^2,6.0^10,15]nonadeca-8,18-dien-13-ol
[CAS# 86363-50-0]

Identification

• Name: (1R,2R,5R,6R,10R,13S,15R)-5-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0^1,9.0^2,6.0^10,15]nonadeca-8,18-dien-13-ol
• Synonyms: 5,8-Edeto; 5,8-Epidioxyergosta-6,9(11),22-trien-3-ol; Ergosta-6,9(11),22-trien-3-ol, 5,8-epidioxy-, (3β,5α,8α,22E)-
• Molecular Formula: C₂₈H₄₂O₃
• Molecular Weight: 426.63
• CAS Registry Number: 86363-50-0
• SMILES: O[C@@H]5C[C@@]/14OO[C@@]3(\C=C\1)\C(=C/C[C@@]2([C@H](CC[C@H]23)[C@@H](/C=C/[C@H](C)C(C)C)C)C)[C@@]4(C)CC5
• InChI: 1S/C28H42O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,12,15-16,18-23,29H,9-11,13-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,25+,26+,27-,28+/m0/s1
• InChIKey: FWPYIYVSYQRISA-ZJBQAQMGSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 512.664°C at 760 mmHg (Cal.)
• Flash point: 263.85°C (Cal.)