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Substance Name: Acoric acid
RN: 5956-06-9
UNII: 65WVB6DB6D
InChIKey: ZIOCYJNRYIRTQD-HFAKWTLXSA-N

Note

  • From roots of Acorus calamus L.

Molecular Formula

  • C15-H24-O4

Molecular Weight

  • 268.3506
 
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Names and Synonyms

Name of Substance

  • Acoric acid

Synonym

  • UNII-65WVB6DB6D

Systematic Name

  • Cyclohexanepropanoic acid, beta,4-dimethyl-1-(2-methyl-1-oxopropyl)-3-oxo-, (1alpha,1(S*),4alpha)-

Registry Numbers

CAS Registry Number

  • 5956-06-9

FDA UNII

  • 65WVB6DB6D

System Generated Number

  • 0005956069

Structure Descriptors

InChI

1S/C15H24O4/c1-9(2)14(19)15(11(4)7-13(17)18)6-5-10(3)12(16)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t10-,11-,15+/m1/s1

InChIKey

ZIOCYJNRYIRTQD-HFAKWTLXSA-N

Smiles

C[C@@H]1CC[C@](CC1=O)([C@H](C)CC(=O)O)C(=O)C(C)C