Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ardisiacrispin A
RN: 23643-61-0
InChIKey: JXTOWLUQSHIIDP-IGMIGKIRSA-N

Note

  • Utero-contracting oleanane triterpene saponin from Ardisia crispa.

Molecular Weight

  • 1061.21
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ardisiacrispin A

Synonym

  • 3beta-O-(beta-D-Xylopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-(O-beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)-16alpha-hydroxy-13beta,28-epoxyolean-30-al

Systematic Name

  • Oleanan-29-al, 13,28- epoxy-3-((O-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-xylopyranosyl-(1-2)-beta-D-glucopyranosyl-(1-4))-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3beta,16alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 23643-61-0

System Generated Number

  • 0023643610

Structure Descriptors

InChI

1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26+,27+,28-,29-,30-,31?,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48+,49-,50+,51-,52+/m1/s1

InChIKey

JXTOWLUQSHIIDP-IGMIGKIRSA-N

Smiles

C1[C@@H]([C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](CO)O2)[C@@H](O[C@@H]2C([C@H]3[C@@](CC2)([C@@H]2[C@@]([C@@]4([C@]5(CC2)[C@H]2[C@@]([C@@H](C4)O)(CC[C@](C)(C2)C=O)CO5)C)(CC3)C)C)(C)C)O1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)CO