(3S)-6a-Acetyloxy-1,2,3,6,7,7a,10,14,14ab,14b-Decahydro-3,13-Dimethoxy-5,5,7ab,9,14ba-Pentamethyl-12H-3b,5ab-Epoxy-5H-Furo[3,4-I]Oxepino[4,3-a]Xanthen-12-One
[CAS# 81543-01-3]

Identification

• Name: (3S)-6a-Acetyloxy-1,2,3,6,7,7a,10,14,14ab,14b-Decahydro-3,13-Dimethoxy-5,5,7ab,9,14ba-Pentamethyl-12H-3b,5ab-Epoxy-5H-Furo[3,4-I]Oxepino[4,3-a]Xanthen-12-One
• Molecular Formula: C₂₈H₃₆O₉
• Molecular Weight: 516.59
• CAS Registry Number: 81543-01-3
• SMILES: [C@@]256[C@@]([C@H]1CC4=C(O[C@]1(C[C@H]2OC(=O)C)C)C(=C3COC(C3=C4OC)=O)C)(CC[C@](O5)(OC)OC6(C)C)C
• InChI: 1S/C28H36O9/c1-14-17-13-33-23(30)20(17)22(31-7)16-11-18-25(5)9-10-27(32-8)36-24(3,4)28(25,37-27)19(34-15(2)29)12-26(18,6)35-21(14)16/h18-19H,9-13H2,1-8H3/t18-,19-,25-,26+,27+,28-/m1/s1
• InChIKey: JVCNHGXAVMINTN-QBNAFFQBSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 654°C at 760 mmHg (Cal.)
• Flash point: 277.119°C (Cal.)