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Substance Name: Anabsinthin
RN: 6903-12-4
UNII: 7HI090W6CT
InChIKey: XDKZYFZYOVAAKJ-VXVJPEHISA-N

Note

  • A guaiac-dimer from Pulicaria gnaphalodes (Asteraceae).

Molecular Formula

  • C30-H40-O6

Molecular Weight

  • 496.64
 
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Names and Synonyms

Name of Substance

  • Anabsinthin

Synonyms

  • (+)-Anabsinthin
  • Anabsinthin
  • Anabsinthin anhydrous form [MI]
  • Anabsinthin [MI]
  • Dicyclohepta(1,2-b:1',2'-b')difuran-2,12(11H)-dione, 3,3a,4,5,6,6a,6b,7,7a,8,9,10,10a,13a,13c,14b-hexadecahydro-6-hydroxy-3,6,8,11,14,15-hexamethyl-, (3S,3aS,6S,6aR,6bS,7R,7aR,8S,10aS,11S,13aS,13bS,13cr,14bS,15S)-
  • UNII-7HI090W6CT

Registry Numbers

CAS Registry Number

  • 6903-12-4

FDA UNII

  • 7HI090W6CT

System Generated Number

  • 0006903124

Structure Descriptors

InChI

1S/C30H40O6/c1-12-15-7-9-27(4,33)21-18(22(15)34-25(12)31)14(3)20-19(21)17-11-29(6)30(20)23(17)28(5,36-29)10-8-16-13(2)26(32)35-24(16)30/h12-13,15-17,19-24,33H,7-11H2,1-6H3/t12-,13-,15-,16-,17+,19-,20-,21-,22-,23-,24-,27-,28-,29-,30-/m0/s1

InChIKey

XDKZYFZYOVAAKJ-VXVJPEHISA-N

Smiles

C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C[C@]6([C@@]7([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](O6)(CC[C@@H]8[C@@H]7OC(=O)[C@H]8C)C)C)(C)O