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Substance Name: Ardicrenin
RN: 143016-77-7
InChIKey: AWHOLZVUVDYTBG-AZDDWXAASA-N

Note

  • Oleanane with 28-O bridged to C13; isolated from root of Ardisia crenata.

Molecular Formula

  • C53-H86-O22

Molecular Weight

  • 1075.2404
 
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Names and Synonyms

Name of Substance

  • Ardicrenin

Synonym

  • Cyclamiretin A-3-O-(alpha-L-rhamnopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-4))(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranoside

Systematic Name

  • Oleanan-29-al, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-13,28-epoxy-22-hydroxy-, (3beta,20beta,22alpha)-

Registry Numbers

CAS Registry Number

  • 143016-77-7

System Generated Number

  • 0143016777

Structure Descriptors

InChI

1S/C53H86O22/c1-23-32(58)35(61)38(64)43(69-23)72-26-20-67-46(42(75-45-40(66)37(63)34(60)25(19-55)71-45)41(26)74-44-39(65)36(62)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)17-30(57)52(29,22-68-53)15-14-51(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

AWHOLZVUVDYTBG-AZDDWXAASA-N

Smiles

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@@]6([C@H]7CCC89C1C[C@](C[C@@H](C1(CC[C@]8([C@@]7(CCC6C5(C)C)C)C)CO9)O)(C)C=O)C)O)O)O