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Substance Name: Glycyrrhetinyl-glycine conjugate
RN: 82824-02-0
InChIKey: XSXSLSVYJTZNSQ-IQQKNUHMSA-L

Molecular Weight

  • 1093.5444
 
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Names and Synonyms

Name of Substance

  • Glycyrrhetinyl-glycine conjugate

Synonym

  • Calcium glycyrrhetinyl-glycinate

Systematic Name

  • Glycine, N-((3beta,20beta)-3-hydroxy-11,29-dioxoolean-12-en-29-yl)-, calcium salt

Registry Numbers

CAS Registry Number

  • 82824-02-0

System Generated Number

  • 0082824020

Structure Descriptors

InChI

1S/2C32H49NO5.Ca/c2*1-27(2)22-8-11-32(7)25(30(22,5)10-9-23(27)35)21(34)16-19-20-17-29(4,26(38)33-18-24(36)37)13-12-28(20,3)14-15-31(19,32)6;/h2*16,20,22-23,25,35H,8-15,17-18H2,1-7H3,(H,33,38)(H,36,37);/q;;+2/p-2/t2*20-,22?,23+,25?,28-,29-,30+,31-,32-;/m11./s1

InChIKey

XSXSLSVYJTZNSQ-IQQKNUHMSA-L

Smiles

C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)NCC(=O)[O-].C[C@]12CC[C@@](C[C@@H]1C3=CC(=O)C4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)NCC(=O)[O-].[Ca+2]