3-Betulinic acid 3-O-sulfate 28-O-(rhamnopyranosyl(1-4)-O-glucopyranosyl(1-6))-glucopyranoside
[CAS# 137553-03-8]

Identification

• Name: 3-Betulinic acid 3-O-sulfate 28-O-(rhamnopyranosyl(1-4)-O-glucopyranosyl(1-6))-glucopyranoside
• Synonyms: 3-Betulinic Acid 3-O-Sulfate 28-O-(Rhamnopyranosyl(1-4)-O-Glucopyranosyl(1-6))-Glucopyranoside
• Molecular Formula: C₄₈H₇₈O₂₀S
• Molecular Weight: 1007.19
• CAS Registry Number: 137553-03-8
• SMILES: [C@@H]1(CC[C@]7([C@H](C1(C)C)CC[C@@]8(C)[C@]6(C)CC[C@@]5(C(=O)O[C@@H]4[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H](O3)C)[C@H](O)[C@H](O4)CO)CC[C@@H](C(=C)C)[C@@H]5[C@H]6CC[C@H]78)C)O[S](=O)(=O)O
• InChI: 1S/C48H78O20S/c1-21(2)23-11-16-48(18-17-46(7)24(30(23)48)9-10-28-45(6)14-13-29(68-69(59,60)61)44(4,5)27(45)12-15-47(28,46)8)43(58)67-42-39(66-41-37(57)35(55)32(52)25(19-49)63-41)38(33(53)26(20-50)64-42)65-40-36(56)34(54)31(51)22(3)62-40/h22-42,49-57H,1,9-20H2,2-8H3,(H,59,60,61)/t22-,23-,24+,25+,26+,27-,28+,29-,30+,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41+,42+,45-,46+,47+,48-/m0/s1
• InChIKey: LLDIGFBNDXWNGP-BLWWJGNOSA-N

Properties

• Density: 1.448g/cm³ (Cal.)