(3aR,13aR)-6,7,10,11,12-Pentamethoxy-3a,4,13,13a-tetrahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one
[CAS# 87084-98-8]

Identification

• Name: (3aR,13aR)-6,7,10,11,12-Pentamethoxy-3a,4,13,13a-tetrahydrodibenzo[4,5:6,7]cycloocta[1,2-c]furan-1(3H)-one
• Synonyms: Neoisostegane; C10707
• Molecular Formula: C₂₃H₂₆O₇
• Molecular Weight: 414.45
• CAS Registry Number: 87084-98-8
• SMILES: COC1=C(C=C2C(=C1)C[C@H]3COC(=O)[C@@H]3CC4=C(C(=C(C=C42)OC)OC)OC)OC
• InChI: 1S/C23H26O7/c1-25-18-7-12-6-13-11-30-23(24)15(13)8-17-16(14(12)9-19(18)26-2)10-20(27-3)22(29-5)21(17)28-4/h7,9-10,13,15H,6,8,11H2,1-5H3/t13-,15+/m0/s1
• InChIKey: UAFHDDGMOVOBAW-DZGCQCFKSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 618.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 268.1±31.5°C (Cal.)