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Substance Name: 4,6,8-Trihydroxy-11-capnosene-2,10-dione
RN: 142750-40-1
InChIKey: NVOWAVFZSKWQPR-DYKTZABPSA-N

Note

  • Contains a carbocyclic cembrane-derived skeleton (capnosane skeleton) isolated from flowers of Greek tobacco.

Molecular Formula

  • C20-H32-O5

Molecular Weight

  • 352.468
 
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Names and Synonyms

Name of Substance

  • 4,6,8-Trihydroxy-11-capnosene-2,10-dione

Synonyms

  • (1R*,3S*,3aR*,5S*,8Z,12R*,12aR*)-(-)-2,3,3a,6,7,11,12,12a-Octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-4,10(1H,5H)-cyclopentacycloundecenedione
  • (1S*,3R*,4S*,6R*,7R*,8R*,11Z)-4,6,8-Trihydroxy-11-capnosene-2,10-dione
  • THCD

Systematic Name

  • 4,10(1H,5H)-Cyclopentacycloundecenedione, 2,3,3a,6,7,11,12,12a-octahydro-1,3,12-trihydroxy-3,8,12-trimethyl-5-(1-methylethyl)-, (1R*,3S*,3aR*,5S*,8Z,12R*,12aR*)-(-)-

Registry Numbers

CAS Registry Number

  • 142750-40-1

System Generated Number

  • 0142750401

Structure Descriptors

InChI

1S/C20H32O5/c1-11(2)14-7-6-12(3)8-13(21)9-19(4,24)16-15(22)10-20(5,25)17(16)18(14)23/h8,11,14-17,22,24-25H,6-7,9-10H2,1-5H3/b12-8-/t14-,15+,16-,17-,19+,20-/m0/s1

InChIKey

NVOWAVFZSKWQPR-DYKTZABPSA-N

Smiles

C1[C@@]([C@@H]2[C@@H](C([C@@H](CCC(=CC1=O)C)C(C)C)=O)[C@@](C[C@H]2O)(C)O)(C)O