Medicoside G

CAS Registry Number®

106074-96-8
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CAS Name

Medicoside G

Molecular Formula

C42H66O16

Molecular Mass

826.96

Cite this Page

Medicoside G.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106074-96-8 (retrieved 2024-09-19) (CAS RN: 106074-96-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C42H66O16/c1-37(2)11-13-42(36(54)58-34-31(51)29(49)27(47)23(18-44)56-34)14-12-39(4)19(20(42)15-37)7-8-24-38(3)16-21(45)32(41(6,35(52)53)25(38)9-10-40(24,39)5)57-33-30(50)28(48)26(46)22(17-43)55-33/h7,20-34,43-51H,8-18H2,1-6H3,(H,52,53)/t20-,21-,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,38+,39+,40+,41-,42-/m0/s1

InChIKey

InChIKey=LFWLYNKBYSIXAH-DMHUOPMFSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](C(O)=O)(C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)C6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC13

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2-hydroxy-, 28-β-D-glucopyranosyl ester, (2β,3β,4α)-
  • Medicagenic acid 3,28-di-O-β-D-glucopyranoside
  • Medicoside G
  • Medicagenic acid 3,28-di-O-β-D-glucoside

Deleted or Replaced CAS Registry Numbers

107232-01-9, 115609-56-8