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Substance Name: Calenduloside C
RN: 58231-97-3
UNII: K5B114517J
InChIKey: OGKRHYLZKFTGGO-RHFDSUMBSA-N

Molecular Weight

  • 943.1262
 
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Names and Synonyms

Name of Substance

  • Calenduloside C

Synonyms

  • 2'',28-Dideglucosylosteosaponin 2
  • Arvensoside D
  • Calenduloside C
  • Elateroside B
  • Olean-12-en-28-oic acid, 3-((o-beta-D-galactopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->2))-beta-D-glucopyranosyl)oxy)-, (3beta)-
  • Osteosaponin 1
  • UNII-K5B114517J

Registry Numbers

CAS Registry Number

  • 58231-97-3

FDA UNII

  • K5B114517J

System Generated Number

  • 0058231973

Structure Descriptors

InChI

1S/C48H78O18/c1-43(2)14-16-48(42(59)60)17-15-46(6)22(23(48)18-43)8-9-28-45(5)12-11-29(44(3,4)27(45)10-13-47(28,46)7)64-41-38(66-40-36(58)34(56)31(53)25(20-50)62-40)37(32(54)26(21-51)63-41)65-39-35(57)33(55)30(52)24(19-49)61-39/h8,23-41,49-58H,9-21H2,1-7H3,(H,59,60)/t23-,24+,25+,26+,27-,28+,29-,30-,31+,32+,33-,34-,35+,36+,37-,38+,39-,40-,41-,45-,46+,47+,48-/m0/s1

InChIKey

OGKRHYLZKFTGGO-RHFDSUMBSA-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)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O