Medicagenic acid 3-O-β-D-glucopyranoside

CAS Registry Number®

49792-23-6
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CAS Name

Medicagenic acid 3-O-β-D-glucopyranoside

Molecular Formula

C36H56O11

Molecular Mass

664.82

Cite this Page

Medicagenic acid 3-O-β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=49792-23-6 (retrieved 2024-05-18) (CAS RN: 49792-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H56O11/c1-31(2)11-13-36(30(44)45)14-12-33(4)18(19(36)15-31)7-8-22-32(3)16-20(38)27(35(6,29(42)43)23(32)9-10-34(22,33)5)47-28-26(41)25(40)24(39)21(17-37)46-28/h7,19-28,37-41H,8-17H2,1-6H3,(H,42,43)(H,44,45)/t19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35-,36-/m0/s1

InChIKey

InChIKey=XCHARIIIZLLEBL-HXZZEOLJSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)([C@@](C(O)=O)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)C3)[H])(CC=C5[C@@]2(C)CC[C@]6(C(O)=O)[C@]5(CC(C)(C)CC6)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C(=O)O)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2-hydroxy-, (2β,3β,4α)-
  • Olean-12-ene-23,28-dioic acid, 3β-(β-D-glucopyranosyloxy)-2β-hydroxy-
  • (2β,3β,4α)-3-(β-D-Glucopyranosyloxy)-2-hydroxyolean-12-ene-23,28-dioic acid
  • G 2
  • Medicagenic acid 3-O-β-D-glucopyranoside

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