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Substance Name: Calenduloside G
RN: 26020-15-5
UNII: 86D3U3JCL7
InChIKey: BQPYEFAVIPEQIK-AGCVEWRESA-N

Molecular Weight

  • 794.9694
 
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Names and Synonyms

Name of Substance

  • Calenduloside G

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-12-en-3-yl 3-o-beta-D-galactopyranosyl-
  • Calenduloside G
  • UNII-86D3U3JCL7

Registry Numbers

CAS Registry Number

  • 26020-15-5

FDA UNII

  • 86D3U3JCL7

System Generated Number

  • 0026020155

Structure Descriptors

InChI

1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1

InChIKey

BQPYEFAVIPEQIK-AGCVEWRESA-N

Smiles

C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O