Monoacetoxyscirpenol
[CAS# 96699-75-1]

Identification

• Name: Monoacetoxyscirpenol
• Synonyms: 4-O-Acetoxyscirpenol; Monoacetoxyscirpenol; Scirp-9-Ene-3Alpha,4Beta,15-Triol, 4-Acetate
• Molecular Formula: C₁₇H₂₄O₆
• Molecular Weight: 324.37
• CAS Registry Number: 96699-75-1
• SMILES: [C@H]13O[C@H]4[C@@](C(C12OC2)([C@H](OC(=O)C)[C@H]3O)C)(CCC(=C4)C)CO
• InChI: 1S/C17H24O6/c1-9-4-5-16(7-18)11(6-9)23-14-12(20)13(22-10(2)19)15(16,3)17(14)8-21-17/h6,11-14,18,20H,4-5,7-8H2,1-3H3/t11-,12-,13-,14-,15?,16-,17?/m1/s1
• InChIKey: YIFMFXZUYBFVFL-DIRMQTSCSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 460.213°C at 760 mmHg (Cal.)
• Flash point: 165.015°C (Cal.)