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Substance Name: Bisvertinoquinol
RN: 79950-83-7
UNII: 0S5Q28668H
InChIKey: ZXWVVZIMJSPORF-FTTFQXIBSA-N

Molecular Formula

  • C28-H34-O8

Molecular Weight

  • 498.5686
 
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Names and Synonyms

Name of Substance

  • Bisvertinoquinol

Synonyms

  • 1,4-Ethanonaphthalene-2,8,10-trione, 1,3,4,4a,5,8a-hexahydro-3,5,6-trihydroxy-9-((2E,4E)-1-hydroxy-2,4-hexadienylidene)-1,3,5,7-tetramethyl-8a-((4E)-1-oxo-4-hexenyl)-, (1R,3S,4S,4aS,5S,8aR,9Z)-rel-(+)-
  • 1,4-Ethanonaphthalene-2,8,10-trione, 1,3,4,4a,5,8a-hexahydro-3,5,6-trihydroxy-9-(1-hydroxy-2,4-hexadienylidene)-1,3,5,7-tetramethyl-8a-(1-oxo-4-hexenyl)-, (1alpha,3beta,4alpha,4abeta,5alpha,8abeta(E),9Z(2E,4E))-(+)-
  • Bisvertinoquinol
  • Bisvertinoquinol, (+)-
  • UNII-0S5Q28668H

Registry Numbers

CAS Registry Number

  • 79950-83-7

FDA UNII

  • 0S5Q28668H

System Generated Number

  • 0079950837

Structure Descriptors

InChI

1S/C28H34O8/c1-7-9-11-13-16(29)18-19-20-27(6,36)21(31)15(3)22(32)28(20,17(30)14-12-10-8-2)25(4,23(18)33)24(34)26(19,5)35/h7-11,13,19-20,29,31,35-36H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,18-16-/t19-,20-,25-,26+,27+,28+/m1/s1

InChIKey

ZXWVVZIMJSPORF-FTTFQXIBSA-N

Smiles

C\C=C\CCC(=O)[C@@]12[C@H]([C@H]3\C(=C(\O)/C=C/C=C/C)\C(=O)[C@]1(C)C(=O)[C@@]3(C)O)[C@](C)(O)C(=C(C)C2=O)O