(10alpha,13Z)-2',6''-Dihydroxy-5''-Methoxylythran-12-One
[CAS# 10247-54-8]

Identification

• Name: (10alpha,13Z)-2',6''-Dihydroxy-5''-Methoxylythran-12-One
• Synonyms: verticillatine
• Molecular Formula: C₂₅H₂₇NO₅
• Molecular Weight: 421.49
• CAS Registry Number: 10247-54-8
• SMILES: COc1ccc5c(c1O)c2cc(ccc2O)/C=C\C(=O)O[C@H]4C[C@H]3CCCCN3[C@H]5C4
• InChI: 1S/C25H27NO5/c1-30-22-9-7-18-20-14-17(13-16-4-2-3-11-26(16)20)31-23(28)10-6-15-5-8-21(27)19(12-15)24(18)25(22)29/h5-10,12,16-17,20,27,29H,2-4,11,13-14H2,1H3/b10-6-/t16-,17+,20+/m1/s1
• InChIKey: WBNJBVAHRALIOS-HUFWVITFSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 680.05°C at 760 mmHg (Cal.)
• Flash point: 365.081°C (Cal.)
• Refractive index: 1.675 (Cal.)