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Substance Name: Spathulin
RN: 7706-45-8
InChIKey: DBJWOTDYVYVATC-DWVBCWGVSA-N

Molecular Formula

  • C19-H26-O8

Molecular Weight

  • 382.4064
 
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Names and Synonyms

Results Name

  • Spathulin

Synonyms

  • 4,9-Bis(acetyloxy)decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2(3H)-one (3aS-(3aalpha,4beta,4abeta,5alpha,7alpha,7aalpha,8alpha,9beta,9abeta))-
  • Ambros-11(13)-en-12-oic acid, 2,4,6,8,9-pentahydroxy-, 12,8-lactone, 6,9-diacetate
  • NSC 85250
  • Spathulin

Systematic Names

  • Azuleno(6,5-b)furan-2(3H)-one, 4,9-bis(acetyloxy)decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aS,4R,4aS,5R,7S,7aS,8S,9R,9aR)-
  • Azuleno(6,5-b)furan-2(3H)-one, 4,9-bis(acetyloxy)decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4beta,4abeta,5alpha,7alpha,7aalpha,8alpha,9beta,9abeta))-

Registry Numbers

CAS Registry Number

  • 7706-45-8

System Generated Number

  • 0007706458

Structure Descriptors

InChI

1S/C19H26O8/c1-7-13-16(27-18(7)24)15(25-9(3)20)8(2)14-11(22)6-12(23)19(14,5)17(13)26-10(4)21/h8,11-17,22-23H,1,6H2,2-5H3/t8-,11-,12+,13+,14+,15+,16+,17+,19+/m0/s1

InChIKey

DBJWOTDYVYVATC-DWVBCWGVSA-N

Smiles

C[C@H]1[C@@H]2[C@H](C[C@H]([C@]2([C@@H]([C@H]3[C@H]([C@@H]1OC(=O)C)OC(=O)C3=C)OC(=O)C)C)O)O