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Substance Name: Ciwujianoside C1
RN: 114906-73-9
InChIKey: HMQSPQLUUHPGBG-MCVRKTBJSA-N

Note

  • Oleanane saponin isolated from Acanthopanax senticosus; inhibits histamine release.

Molecular Formula

  • C52-H82-O21

Molecular Weight

  • 1043.2
 
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Names and Synonyms

Name of Substance

  • Ciwujianoside C1

Synonym

  • 3-(alpha-L-Arabinopyranosyloxy)-30-noroleana-12,20(29)-dien-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-B-D-glucopyranosyl ester

Systematic Name

  • 30-Noroleana-12,20(29)-dien-28-oic acid, 3-(alpha-L-arabinopyranosyloxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 114906-73-9

System Generated Number

  • 0114906739

Structure Descriptors

InChI

1S/C52H82O21/c1-22-10-15-52(47(65)73-46-40(63)36(59)34(57)28(70-46)21-67-43-41(64)37(60)42(27(19-53)69-43)72-45-39(62)35(58)32(55)23(2)68-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)71-44-38(61)33(56)26(54)20-66-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,49-,50+,51+,52-/m0/s1

InChIKey

HMQSPQLUUHPGBG-MCVRKTBJSA-N

Smiles

O1[C@H]([C@@H]([C@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1CO)OC[C@H]1O[C@@H](OC([C@@]23CC[C@@]4(C([C@@H]2CC(CC3)=C)=CC[C@@H]2[C@@]3(CC[C@@H](C([C@@H]3CC[C@@]42C)(C)C)O[C@H]2[C@H](O)[C@H]([C@@H](O)CO2)O)C)C)=O)[C@H](O)[C@H](O)[C@@H]1O)O)O)O)O)O)C