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Substance Name: Isodonoic acid
RN: 84294-78-0
InChIKey: YYLPICOTWQVMKZ-OWAWIEFQSA-N

Note

  • From leaves of Rabdosia ternifolia.

Molecular Formula

  • C22-H28-O8

Molecular Weight

  • 420.455
 
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Names and Synonyms

Name of Substance

  • Isodonoic acid

Systematic Name

  • Spiro(cyclohexane-1,4'(3'H)-(1H-7,9a)methanocyclohepta(c)pyran)-2-carboxylic acid, 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

  • 84294-78-0

System Generated Number

  • 0084294780

Structure Descriptors

InChI

1S/C22H28O8/c1-10-12-7-13(24)15-21(8-12,17(10)25)19(28)29-9-22(15)14(30-11(2)23)5-6-20(3,4)16(22)18(26)27/h12-16,24H,1,5-9H2,2-4H3,(H,26,27)/t12-,13+,14+,15-,16-,21+,22+/m1/s1

InChIKey

YYLPICOTWQVMKZ-OWAWIEFQSA-N

Smiles

C1(C)(C)[C@@H](C(O)=O)[C@]2(COC(=O)[C@]34C(=O)C(=C)[C@@H](C[C@@H]([C@@H]23)O)C4)[C@@H](OC(C)=O)CC1