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Substance Name: 28-Deacetylbelamcandal
RN: 138521-96-7
InChIKey: XVFORSWJIMCHND-ADWNQYOQSA-N

Note

  • A tumor-promoting triterpenoid from Iris tectorum.

Molecular Formula

  • C30-H46-O5

Molecular Weight

  • 486.688
 
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Names and Synonyms

Results Name

  • 28-Deacetylbelamcandal

Synonyms

  • 28-Deacetylbelamcandal
  • CCRIS 8443

Systematic Name

  • Propanal, 2-((1R,2S,5S,6R,10S)-1,10-dihydroxy-2-((1E,3E)-1-(hydroxymethyl)-9-methyl-5-methylene-1,3,8-decatrienyl)-6-(3-hydroxypropyl)-10-methylspiro(4.5)dec-7-ylidene)-, (2Z)-

Registry Numbers

CAS Registry Number

  • 138521-96-7

System Generated Number

  • 0138521967

Structure Descriptors

InChI

1S/C30H46O5/c1-21(2)9-6-10-22(3)11-7-12-24(20-33)26-15-17-30(28(26)34)27(13-8-18-31)25(23(4)19-32)14-16-29(30,5)35/h7,9,11-12,19,26-28,31,33-35H,3,6,8,10,13-18,20H2,1-2,4-5H3/b11-7+,24-12-,25-23-/t26-,27+,28+,29-,30-/m0/s1

InChIKey

XVFORSWJIMCHND-ADWNQYOQSA-N

Smiles

C(\C(C)=C1/[C@H]([C@]2(CC[C@H]([C@H]2O)C(=C\C=C\C(CC\C=C(\C)C)=C)\CO)[C@@](CC1)(C)O)CCCO)=O