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Substance Name: Ardisiacrispin B
RN: 112766-96-8
InChIKey: ZDIHSHLFPFGAGP-GRWMUYEGSA-N

Note

  • Untero-contracting oleanane triterpene saponin form Ardisia crispa.

Molecular Weight

  • 1075.2404
 
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Names and Synonyms

Name of Substance

  • Ardisiacrispin B

Synonym

  • 3beta-O-(alpha-L-Rhamnopyranosyl-(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, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-13,28-epoxy-16-hydroxy-, (3beta,16alpha,20beta)-

Registry Numbers

CAS Registry Number

  • 112766-96-8

System Generated Number

  • 0112766968

Structure Descriptors

InChI

1S/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24?,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52?,53?/m0/s1

InChIKey

ZDIHSHLFPFGAGP-GRWMUYEGSA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@H]3CO[C@H]([C@@H]([C@H]3O)O[C@H]4[C@@H]([C@H]([C@@H](C(O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CCC89[C@@H]1C[C@@](CCC1(CO8)[C@@H](C[C@]9([C@@]7(CC[C@H]6C5(C)C)C)C)O)(C)C=O)C)CO)O)O)O)O)O