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Substance Name: Calenduloside D
RN: 58231-98-4
UNII: 836A2PAK5H
InChIKey: MROYUZKXUGPCPD-QOLOFGRVSA-N

Molecular Weight

  • 1105.2662
 
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Names and Synonyms

Name of Substance

  • Calenduloside D

Synonyms

  • Calenduloside D
  • Olean-12-en-28-oic acid, 3-((o-beta-D-galactopyranosyl-(1->3)-O-(beta-D-glucopyranosyl-(1->2))-beta-D-glucopyranosyl)oxy)-, beta-D-glucopyranosyl ester, (3beta)-
  • UNII-836A2PAK5H

Registry Numbers

CAS Registry Number

  • 58231-98-4

FDA UNII

  • 836A2PAK5H

System Generated Number

  • 0058231984

Structure Descriptors

InChI

1S/C54H88O23/c1-49(2)14-16-54(48(69)77-46-41(68)38(65)34(61)27(21-57)72-46)17-15-52(6)23(24(54)18-49)8-9-30-51(5)12-11-31(50(3,4)29(51)10-13-53(30,52)7)74-47-43(76-45-40(67)37(64)33(60)26(20-56)71-45)42(35(62)28(22-58)73-47)75-44-39(66)36(63)32(59)25(19-55)70-44/h8,24-47,55-68H,9-22H2,1-7H3/t24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43+,44-,45-,46-,47-,51-,52+,53+,54-/m0/s1

InChIKey

MROYUZKXUGPCPD-QOLOFGRVSA-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](CO)[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@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O