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Substance Name: Anemodeanin A
RN: 89412-79-3
InChIKey: VQQGPFFHGWNIGX-PPCHTBMASA-N

Note

  • From Anemone raddeana Regel.

Molecular Formula

  • C47-H76-O16

Molecular Weight

  • 897.101
 
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Names and Synonyms

Name of Substance

  • Anemodeanin A

Synonyms

  • Isolate from Anemone raddeana regel
  • NSC 382873
  • Oleanolic acid 3-O-alpha-rhamnopyranosyl(1-2)-beta-glucopyranosyl(1-2)-alpha-arabinopyranoside
  • Raddeanin A

Systematic Name

  • Olean-12-en-28-oic acid, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 89412-79-3

System Generated Number

  • 0089412793

Structure Descriptors

InChI

1S/C47H76O16/c1-22-30(50)33(53)35(55)38(59-22)62-37-34(54)32(52)26(20-48)60-40(37)63-36-31(51)25(49)21-58-39(36)61-29-12-13-44(6)27(43(29,4)5)11-14-46(8)28(44)10-9-23-24-19-42(2,3)15-17-47(24,41(56)57)18-16-45(23,46)7/h9,22,24-40,48-55H,10-21H2,1-8H3,(H,56,57)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46+,47-/m0/s1

InChIKey

VQQGPFFHGWNIGX-PPCHTBMASA-N

Smiles

C1(C)(C)CC[C@@]2(CC[C@@]3(C([C@H]2C1)=CC[C@@H]1[C@@]2([C@@H](CC[C@@]31C)C([C@H](CC2)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)(C)C)C)C)C(O)=O