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Substance Name: Glycyrrhetinic acid 3-O-hemiphthalate
RN: 66067-20-7
InChIKey: INOXKZRJJCCHEM-AONLVFIFSA-L

Molecular Weight

  • 662.77
 
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Names and Synonyms

Name of Substance

  • Glycyrrhetinic acid 3-O-hemiphthalate

Synonyms

  • GAHPh
  • Glycyrrhetinic acid 3-O-hemiphthalate disodium
  • Glycyrrhetinic acid monohemiphthalate disodium

Systematic Name

  • Olean-12-en-29-

Registry Numbers

CAS Registry Number

  • 66067-20-7

System Generated Number

  • 0066067207

Structure Descriptors

InChI

1S/C38H50O7.2Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;/h8-11,20,25,27-29H,12-19,21H2,1-7H3,(H,40,41)(H,43,44);;/q;2*+1/p-2/t25-,27?,28+,29?,34-,35-,36+,37-,38-;;/m1../s1

InChIKey

INOXKZRJJCCHEM-AONLVFIFSA-L

Smiles

[Na+].[Na+].C1[C@@H](C(C)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)[O-])C[C@H]5C4=CC([C@@H]3[C@@]2(C1)C)=O)OC(c1c(cccc1)C(=O)[O-])=O