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Substance Name: 12-Chlorodehydroabietic acid
RN: 65310-45-4
InChIKey: LRHCLIUTYPHWLV-MISYRCLQSA-N

Molecular Formula

  • C20-H27-Cl-O2

Molecular Weight

  • 334.884
 
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Names and Synonyms

Results Name

  • 12-Chlorodehydroabietic acid

Synonyms

  • 12-Chloroabieta-8,11,13-trien-18-oic acid
  • 12-Chlorodehydroabietic acid

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-
  • 1-Phenanthrenecarboxylic acid, 6-chloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,4abeta,10aalpha))-

Registry Numbers

CAS Registry Number

  • 65310-45-4

System Generated Number

  • 0065310454

Structure Descriptors

InChI

1S/C20H27ClO2/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1

InChIKey

LRHCLIUTYPHWLV-MISYRCLQSA-N

Smiles

C1C[C@@]([C@@H]2CCc3c(cc(c(c3)C(C)C)Cl)[C@@]2(C)C1)(C)C(O)=O