15-Deacetylsergeolide
[CAS# 95732-45-9]

Identification

• Name: 15-Deacetylsergeolide
• Molecular Formula: C₂₃H₂₆O₁₀
• Molecular Weight: 462.45
• CAS Registry Number: 95732-45-9
• SMILES: [C@]123[C@H]4[C@@]6([C@@H](C[C@H]1OC(=O)[C@H](O)[C@H]2C(OC3)([C@@H](O)[C@@H]4O)C(OC)=O)[C@@H](C5=CC(OC5=C6)=O)C)C
• InChI: 1S/C23H26O10/c1-8-9-4-13(24)32-11(9)6-21(2)10(8)5-12-22-7-31-23(20(29)30-3,18(27)14(25)16(21)22)17(22)15(26)19(28)33-12/h4,6,8,10,12,14-18,25-27H,5,7H2,1-3H3/t8-,10+,12-,14-,15-,16-,17-,18+,21+,22-,23?/m1/s1
• InChIKey: NPWJHTWCKHUSAM-VCDZWFLMSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 749.802°C at 760 mmHg (Cal.)
• Flash point: 262.53°C (Cal.)