(3S)-1,2,3,6,7,7A,10,14,14ab,14b-Decahydro-6a-Hydroxy-3Α,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# 81543-02-4]

Identification

• Name: (3S)-1,2,3,6,7,7A,10,14,14ab,14b-Decahydro-6a-Hydroxy-3Α,13-Dimethoxy-5,5,7ab,9,14ba-Pentamethyl-12H-3b,5ab-Epoxy-5H-Furo[3,4-I]Oxepino[4,3-a]Xanthen-12-One
• Synonyms: 12H-3,5A-Epoxy-5H-Furo(3,4-I)Oxepino(4,3-A)Xanthen-12-One,1,2,3,6,7,7A,10,14,14A,14B-Decahydro-6-Hydroxy-3,13-Dimethoxy-5,5,7A,9,14B-Pentamethyl-, (3S,5Ar,6R,7As,14Ar,14Br)-
• Molecular Formula: C₂₆H₃₄O₈
• Molecular Weight: 474.55
• CAS Registry Number: 81543-02-4
• SMILES: [C@@]256[C@@]([C@H]1CC4=C(O[C@]1(C[C@H]2O)C)C(=C3COC(C3=C4OC)=O)C)(CC[C@](O5)(OC)OC6(C)C)C
• InChI: 1S/C26H34O8/c1-13-15-12-31-21(28)18(15)20(29-6)14-10-16-23(4)8-9-25(30-7)33-22(2,3)26(23,34-25)17(27)11-24(16,5)32-19(13)14/h16-17,27H,8-12H2,1-7H3/t16-,17-,23-,24+,25+,26-/m1/s1
• InChIKey: ZVFMDVFPBVFGPG-BLQNBILZSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 654.487°C at 760 mmHg (Cal.)
• Flash point: 219.987°C (Cal.)