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Substance Name: 3-Betulinic acid 3-O-sulfate 28-O-(rhamnopyranosyl(1-4)-O-glucopyranosyl(1-6))-glucopyranoside
RN: 137553-03-8
InChIKey: LLDIGFBNDXWNGP-BLWWJGNOSA-N

Note

  • From Schefflera octophylla.

Molecular Weight

  • 1007.1902
 
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Names and Synonyms

Name of Substance

  • 3-Betulinic acid 3-O-sulfate 28-O-(rhamnopyranosyl(1-4)-O-glucopyranosyl(1-6))-glucopyranoside

Synonym

  • Basrgg

Registry Numbers

CAS Registry Number

  • 137553-03-8

System Generated Number

  • 0137553038

Structure Descriptors

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

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]6CC[C@@H]7[C@]8(CC[C@@H](C([C@@H]8CC[C@]7([C@@]6(CC5)C)C)(C)C)OS(=O)(=O)O)C)C(=C)C)CO)O)O)O)O