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Substance Name: Calenduloside H
RN: 26020-29-1
UNII: XRX4A17TSS
InChIKey: QZMAEZWZCGBZFK-AOJWCAIYSA-N

Molecular Weight

  • 957.1094
 
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Names and Synonyms

Name of Substance

  • Calenduloside H

Synonyms

  • beta-D-Glucopyranosiduronic acid, (3beta)-28-(beta-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-o-beta-D-galactopyranosyl-
  • Calendulaglycoside C
  • Calenduloside H
  • UNII-XRX4A17TSS

Registry Numbers

CAS Registry Number

  • 26020-29-1

FDA UNII

  • XRX4A17TSS

System Generated Number

  • 0026020291

Structure Descriptors

InChI

1S/C48H76O19/c1-43(2)14-16-48(42(61)67-40-33(56)31(54)29(52)24(20-50)63-40)17-15-46(6)21(22(48)18-43)8-9-26-45(5)12-11-27(44(3,4)25(45)10-13-47(26,46)7)64-41-35(58)36(34(57)37(66-41)38(59)60)65-39-32(55)30(53)28(51)23(19-49)62-39/h8,22-37,39-41,49-58H,9-20H2,1-7H3,(H,59,60)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,39-,40-,41+,45-,46+,47+,48-/m0/s1

InChIKey

QZMAEZWZCGBZFK-AOJWCAIYSA-N

Smiles

CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(=O)O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O