Bruceanol G
[CAS# 168301-20-0]

Identification

• Name: Bruceanol G
• Synonyms: Methyl (1Beta,11Beta,12Alpha,15Beta(E))-15-((4-(Acetyloxy)-3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-1,11,12-Trihydroxy-2,16-Dioxopicrasan-21-Oate; Picrasan-21-Oic Acid, 15-((4-(Acetyloxy)-3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy)-13,20-Epoxy-1,11,12-Trihydroxy-2,16-Dioxo-, Methyl Ester, (1Beta,11Beta,12Alpha,15Beta(E))-
• Molecular Formula: C₃₀H₄₀O₁₃
• Molecular Weight: 608.64
• CAS Registry Number: 168301-20-0
• SMILES: [C@@]14(OC[C@@]23[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)(OC(C)=O)C)C(=O)O[C@@H]2C[C@@H]5[C@@](C)([C@H]3[C@@H](O)[C@@H]4O)[C@H](O)C(=O)C[C@H]5C)C(=O)OC
• InChI: 1S/C30H40O13/c1-12-8-16(32)23(35)28(6)15(12)10-17-29-11-40-30(26(38)39-7,24(36)19(34)21(28)29)22(29)20(25(37)41-17)42-18(33)9-13(2)27(4,5)43-14(3)31/h9,12,15,17,19-24,34-36H,8,10-11H2,1-7H3/b13-9+/t12-,15+,17-,19-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1
• InChIKey: LNFLSPAGUXRAML-GLQLFLDVSA-N

Properties

• Density: 1.412g/cm³ (Cal.)
• Boiling point: 772.154°C at 760 mmHg (Cal.)
• Flash point: 247.098°C (Cal.)