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Substance Name: Anchusoside-3
RN: 86425-63-0
InChIKey: ROJNIJLZTIURNP-JMRVLMSVSA-N

Molecular Weight

  • 666.843
 
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Names and Synonyms

Results Name

  • Anchusoside-3

Synonyms

  • 21-O-beta-D-Glucopyranosyl-2alpha,3beta,21beta,23-tetrahydroxyolean-12-en-28-oic acid
  • Anchusoside-3

Systematic Name

  • Olean-12-en-28-oic acid, 21-(beta-D-glucopyranosyloxy)-2,3,23-trihydroxy-, (2alpha,3beta,4alpha,21beta)-

Registry Numbers

CAS Registry Number

  • 86425-63-0

System Generated Number

  • 0086425630

Structure Descriptors

InChI

1S/C36H58O11/c1-31(2)13-19-18-7-8-23-32(3)14-20(39)28(43)33(4,17-38)22(32)9-10-35(23,6)34(18,5)11-12-36(19,30(44)45)15-24(31)47-29-27(42)26(41)25(40)21(16-37)46-29/h7,19-29,37-43H,8-17H2,1-6H3,(H,44,45)/t19-,20+,21-,22?,23+,24-,25-,26+,27-,28-,29+,32+,33-,34-,35-,36-/m1/s1

InChIKey

ROJNIJLZTIURNP-JMRVLMSVSA-N

Smiles

C1[C@@H]([C@H]([C@@](CO)(C)[C@@H]2CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)C[C@H](C(C)(C)C[C@H]5C4=CC[C@@H]3[C@@]12C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)O)O