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Substance Name: Isodonal
RN: 16964-56-0
InChIKey: ORDKVFHKMGUXSQ-QXRZKONRSA-N

Molecular Formula

  • C22-H28-O7

Molecular Weight

  • 404.4562
 
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Names and Synonyms

Results Name

  • Isodonal

Synonym

  • Isodonal

Systematic Names

  • Spiro(cyclohexane-1,4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5'-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxo-, (1S,2R,4'aS,5'S,7'S,9'aS)-
  • Spiro(cyclohexane-1,4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-2-carboxaldehyde, 6-(acetyloxy)hexahydro-5'-hydroxy-3,3-dimethyl-8'-methylene-1',9'-dioxo-, (4'S-(4'alpha(2S*,6R*),4'abeta,5'beta,7'alpha,9'aalpha))-

Registry Numbers

CAS Registry Number

  • 16964-56-0

System Generated Number

  • 0016964560

Structure Descriptors

InChI

1S/C22H28O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h9,13-17,25H,1,5-8,10H2,2-4H3/t13-,14?,15-,16+,17-,21+,22+/m1/s1

InChIKey

ORDKVFHKMGUXSQ-QXRZKONRSA-N

Smiles

CC(=O)O[C@H]1CCC(C)(C)[C@@H](C=O)[C@@]12COC(=O)[C@@]34C[C@@H](CC(O)[C@@H]23)C(=C)C4=O