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Substance Name: Ciwujianoside D1
RN: 114912-35-5
InChIKey: SXLYHZXGNXAASM-VBSKCKADSA-N

Note

  • Oleane triterpene saponin isolated from Acanthopanax senticosus; inhibits histamine release.

Molecular Formula

  • C55-H88-O22

Molecular Weight

  • 1101.28
 
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Names and Synonyms

Name of Substance

  • Ciwujianoside D1

Synonym

  • 3-(alpha-L-Arabinopyranosyloxy)-olean-12-en-28-oic acid O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-O-acetyl-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester

Systematic Name

  • Olean-12-en-28-oic acid, 3-(alpha-L-arabinopyranosyloxy)-, O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-6-O-acetyl-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl ester, (3beta)-

Registry Numbers

CAS Registry Number

  • 114912-35-5

System Generated Number

  • 0114912355

Structure Descriptors

InChI

1S/C55H88O22/c1-24-34(58)37(61)41(65)47(72-24)76-44-30(23-69-25(2)56)74-45(43(67)39(44)63)71-22-29-36(60)38(62)42(66)48(73-29)77-49(68)55-18-16-50(3,4)20-27(55)26-10-11-32-52(7)14-13-33(75-46-40(64)35(59)28(57)21-70-46)51(5,6)31(52)12-15-54(32,9)53(26,8)17-19-55/h10,24,27-48,57-67H,11-23H2,1-9H3/t24-,27-,28-,29+,30+,31-,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,52-,53+,54+,55-/m0/s1

InChIKey

SXLYHZXGNXAASM-VBSKCKADSA-N

Smiles

O1[C@H]([C@H](O)[C@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1COC(C)=O)OC[C@H]1O[C@@H](OC([C@@]23CC[C@@]4(C)[C@]5(C)CC[C@H]6C(C)(C)[C@H](CC[C@@]6(C)[C@H]5CC=C4[C@@H]2CC(CC3)(C)C)O[C@H]2[C@H](O)[C@H]([C@@H](O)CO2)O)=O)[C@H](O)[C@H](O)[C@@H]1O)O)O)O)O)C