Calendulaglycoside C

CAS Registry Number®

26020-29-1
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CAS Name

Calendulaglycoside C

Molecular Formula

C48H76O19

Molecular Mass

957.11

Cite this Page

Calendulaglycoside C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26020-29-1 (retrieved 2024-05-16) (CAS RN: 26020-29-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=QZMAEZWZCGBZFK-AOJWCAIYSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(OC8OC(CO)C(O)C(O)C8O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-β-D-galactopyranosyl-
  • (3β)-28-(β-D-Glucopyranosyloxy)-28-oxoolean-12-en-3-yl 3-O-β-D-galactopyranosyl-β-D-glucopyranosiduronic acid
  • Calenduloside H
  • Calendulaglycoside C

Deleted or Replaced CAS Registry Numbers

26020-30-4, 29893-98-9, 124366-35-4, 1859121-74-6, 2160572-95-0

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