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Substance Name: Glyeurysaponin
RN: 137476-70-1
InChIKey: WHDJHPHODXMQKD-UHFFFAOYSA-N

Note

  • From Glycyrrhiza eurycarpa.

Molecular Formula

  • C42-H62-O16

Molecular Weight

  • 822.9358
 
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Names and Synonyms

Name of Substance

  • Glyeurysaponin

Synonym

  • 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid-3-O-beta-D-glucuronopyranosyl-(1-4)-beta-D-glucuronopyranoside

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-

Registry Numbers

CAS Registry Number

  • 137476-70-1

System Generated Number

  • 0137476701

Structure Descriptors

InChI

1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-34-27(48)25(46)28(30(58-34)33(51)52)56-35-26(47)23(44)24(45)29(57-35)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)

InChIKey

WHDJHPHODXMQKD-UHFFFAOYSA-N

Smiles

CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C