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Substance Name: Scabiolide
RN: 20055-57-6
UNII: EFH15717UP
InChIKey: SQQDHMIYFXZFNM-AUULSJCKSA-N

Molecular Formula

  • C21-H28-O8

Molecular Weight

  • 408.4442
 
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Names and Synonyms

Name of Substance

  • Scabiolide

Synonyms

  • NSC-109435
  • Propanoic acid, 2,3-dihydroxy-2-methyl-, 6-((acetyloxy)methyl)-2,3,3a,4,7,8,11,11a-octahydro-10-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester
  • Scabiolide
  • Scabiolide [MI]
  • UNII-EFH15717UP

Registry Numbers

CAS Registry Number

  • 20055-57-6

FDA UNII

  • EFH15717UP

System Generated Number

  • 0020055576

Structure Descriptors

InChI

1S/C21H28O8/c1-12-6-5-7-15(10-27-14(3)23)9-17(29-20(25)21(4,26)11-22)18-13(2)19(24)28-16(18)8-12/h6,9,16-18,22,26H,2,5,7-8,10-11H2,1,3-4H3/b12-6+,15-9-/t16-,17+,18+,21?/m0/s1

InChIKey

SQQDHMIYFXZFNM-AUULSJCKSA-N

Smiles

C/C/1=C\CC/C(=C/[C@H]([C@H]2[C@H](C1)OC(=O)C2=C)OC(=O)C(C)(CO)O)/COC(=O)C