Bruceantinoside A
[CAS# 79439-85-3]

Identification

• Name: Bruceantinoside A
• Synonyms: Aids026370; Picras-1-En-21-Oic Acid, 13,20-Epoxy-2-(.Beta.-D-Glucopyranosyloxy)-11,12-Dihydroxy-15-[(3,4-Dimethyl-1-Oxo-2-Pentenyl)Oxy]-3,16-Dioxo-, Methyl Ester, [11.Beta.,12.Alpha.,15.Beta.(E)]-; Bruceantinoside A
• Molecular Formula: C₃₄H₄₆O₁₆
• Molecular Weight: 710.73
• CAS Registry Number: 79439-85-3
• SMILES: [C@]123[C@H]4[C@@]5([C@@H](C[C@H]1OC(=O)[C@H](OC(=O)\C=C(C(C)C)/C)[C@H]2C(OC3)([C@@H](O)[C@@H]4O)C(OC)=O)[C@@H](C(=O)C(=C5)O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C)C
• InChI: 1S/C34H46O16/c1-12(2)13(3)7-19(36)50-25-27-33-11-46-34(27,31(44)45-6)28(42)24(41)26(33)32(5)9-16(20(37)14(4)15(32)8-18(33)49-29(25)43)47-30-23(40)22(39)21(38)17(10-35)48-30/h7,9,12,14-15,17-18,21-28,30,35,38-42H,8,10-11H2,1-6H3/b13-7+/t14-,15-,17+,18+,21+,22-,23+,24+,25+,26+,27+,28-,30+,32-,33+,34?/m0/s1
• InChIKey: ASHBUMOFZXVPPC-YRJIJCOLSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 898.385°C at 760 mmHg (Cal.)
• Flash point: 280.392°C (Cal.)