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Substance Name: Daniellic acid
RN: 1235-77-4
InChIKey: ZQHJXKYYELWEOK-LCLWPZTBSA-N

Molecular Formula

  • C20-H28-O3

Molecular Weight

  • 316.4382
 
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Names and Synonyms

Name of Substance

  • Daniellic acid

Synonyms

  • Daniellic acid
  • EINECS 214-975-7
  • Illurinic acid

Systematic Name

  • (1R-(1alpha,4aalpha,5alpha,8abeta))-5-(2-(3-Furyl)ethyl)decahydro-1,4a-dimethyl-6-methylene-1-naphthoic acid

Registry Numbers

CAS Registry Number

  • 1235-77-4

System Generated Number

  • 0001235774

Structure Descriptors

InChI

1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1

InChIKey

ZQHJXKYYELWEOK-LCLWPZTBSA-N

Smiles

C[C@@]12CCC[C@](C)([C@H]1CCC(=C)[C@H]2CCc3cocc3)C(=O)O