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Substance Name: Sophoraflavoside IV
RN: 147666-63-5
InChIKey: LPBDFSJDRZMMQJ-UHFFFAOYSA-N

Molecular Formula

  • C59-H94-O29

Molecular Weight

  • 1267.3626
 
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Names and Synonyms

Name of Substance

  • Sophoraflavoside IV

Synonym

  • 3-O-alpha-L-Rhamnopyranosyl- (1-2)-beta-D-galactopyranosyl-(1-2)-beta-D-glucuronopyranosyl oxytrogenin 22-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranoside

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,4beta,20alpha,22beta)-20-carboxy-22-((2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-galactopyranosyl-(1-2)-

Registry Numbers

CAS Registry Number

  • 147666-63-5

System Generated Number

  • 0147666635

Structure Descriptors

InChI

1S/C59H94O29/c1-22-32(64)36(68)41(73)49(80-22)87-45-38(70)35(67)27(19-61)82-51(45)88-46-40(72)39(71)42(47(74)75)86-52(46)83-30-11-12-56(4)28(57(30,5)21-62)10-13-59(7)29(56)9-8-23-24-16-54(2,53(77)78)17-31(55(24,3)14-15-58(23,59)6)84-50-44(33(65)25(63)20-79-50)85-43-37(69)34(66)26(18-60)81-48(43)76/h8,22,24-46,48-52,60-73,76H,9-21H2,1-7H3,(H,74,75)(H,77,78)

InChIKey

LPBDFSJDRZMMQJ-UHFFFAOYSA-N

Smiles

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8OC9C(C(C(CO9)O)O)OC1C(C(C(OC1O)CO)O)O)(C)C(=O)O)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O