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Substance Name: Sedanolide, (3S,3aS)-
RN: 124815-25-4
UNII: XYA2BTI22X
InChIKey: UPJFTVFLSIQQAV-ONGXEEELSA-N

Molecular Formula

  • C12-H18-O2

Molecular Weight

  • 194.2722
 
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Names and Synonyms

Name of Substance

  • Sedanolide, (3S,3aS)-

Synonyms

  • (-)-cis-Neocnidilide
  • (3S,3aS)-(-)-Sedanolide
  • (3S,3aS)-3-Butyl-3a,4,5,6-tetrahydro-1(3H)-isobenzofuranone
  • 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S,3aS)-
  • 1(3H)-Isobenzofuranone, 3-butyl-3a,4,5,6-tetrahydro-, (3S-trans)-
  • cis-Neocnidilide
  • Isocnidilide
  • Sedanolide, (3S,3aS)-
  • Sedanolide, (3S,3aS)-(-)-
  • Sedanolide, cis-(-)-
  • UNII-XYA2BTI22X

Registry Numbers

CAS Registry Number

  • 124815-25-4

FDA UNII

  • XYA2BTI22X

System Generated Number

  • 0124815254

Structure Descriptors

InChI

1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3/t9-,11-/m0/s1

InChIKey

UPJFTVFLSIQQAV-ONGXEEELSA-N

Smiles

CCCC[C@@H]1OC(=O)C2=CCCC[C@H]12