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Substance Name: Elatoside F
RN: 144118-18-3
InChIKey: MLIQJRVPWRKGIO-BIRDKCKZSA-N

Note

  • From root of Aralia elata.

Molecular Formula

  • C52-H84-O21

Molecular Weight

  • 1045.2146
 
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Names and Synonyms

Name of Substance

  • Elatoside F

Synonym

  • Oleanolic acid 3-O-(xylopyranosyl(1-2))(glucopyranosyl(1-3))arabinopyranoside, 28-O-glucopyranosyl ester

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-, beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 144118-18-3

System Generated Number

  • 0144118183

Structure Descriptors

InChI

1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-39(64)36(61)34(59)28(20-54)69-44)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)70-45-41(72-42-37(62)32(57)25(55)21-66-42)40(26(56)22-67-45)71-43-38(63)35(60)33(58)27(19-53)68-43/h8,24-45,53-64H,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+,49+,50-,51-,52+/m1/s1

InChIKey

MLIQJRVPWRKGIO-BIRDKCKZSA-N

Smiles

C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O