(3beta,5xi,9xi,12beta,17xi)-20-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]-beta-D-glucopyranoside
[CAS# 88140-34-5]

Identification

• Name: (3beta,5xi,9xi,12beta,17xi)-20-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-12-hydroxydammar-24-en-3-yl 2-O-[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]-beta-D-glucopyranoside
• Synonyms: Malonylginsenoside Rb(1); Malonylginsenoside Rb1; β-D-Glucopyranoside, (3β,12β)-20-((6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)-12-hydroxydammar-24-en-3-yl 2-O-(6-O-(carboxyacetyl)-β-D-glucopyranosyl)-
• Molecular Formula: C₅₇H₉₄O₂₆
• Molecular Weight: 1195.34
• CAS Registry Number: 88140-34-5
• SMILES: O=C(O)CC(=O)OC[C@H]8O[C@@H](O[C@@H]7[C@@H](O)[C@H](O)[C@H](O[C@H]7O[C@H]6CC[C@@]5(C)C(CC[C@]3(C)C5C[C@@H](O)[C@@H]4C([C@](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)(C)CC\C=C(/C)C)CC[C@@]34C)C6(C)C)CO)[C@H](O)[C@@H](O)[C@@H]8O
• InChI: 1S/C57H94O26/c1-24(2)10-9-14-57(8,83-51-47(74)43(70)40(67)30(80-51)23-76-49-45(72)41(68)37(64)27(20-58)77-49)25-11-16-56(7)36(25)26(60)18-32-54(5)15-13-33(53(3,4)31(54)12-17-55(32,56)6)81-52-48(44(71)38(65)28(21-59)78-52)82-50-46(73)42(69)39(66)29(79-50)22-75-35(63)19-34(61)62/h10,25-33,36-52,58-60,64-74H,9,11-23H2,1-8H3,(H,61,62)/t25?,26-,27-,28-,29-,30-,31?,32?,33+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50+,51+,52+,54+,55-,56-,57+/m1/s1
• InChIKey: NTYAVUNEPXGZQJ-KFASRMKASA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Boiling point: 1207.997°C at 760 mmHg (Cal.)
• Flash point: 326.286°C (Cal.)