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Substance Name: Methyl 7-oxodehydroabietate
RN: 17751-36-9
UNII: U6MXZ2H3UY
InChIKey: URPBIQPJABGDJD-HMXCVIKNSA-N

Molecular Formula

  • C21-H28-O3

Molecular Weight

  • 328.4492
 
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Names and Synonyms

Name of Substance

  • Methyl 7-oxodehydroabietate

Synonyms

  • Methyl 7-oxoabieta-8,11,13-trien-18-oate
  • NSC 2966
  • UNII-U6MXZ2H3UY

Systematic Name

  • (1R,4AS,10aR)-7-Isopropyl-1,4a-dimethyl-9-oxo-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid methyl ester

Registry Numbers

CAS Registry Number

  • 17751-36-9

FDA UNII

  • U6MXZ2H3UY

Other Registry Number

  • 17751-37-0

System Generated Number

  • 0017751369

Structure Descriptors

InChI

1S/C21H28O3/c1-13(2)14-7-8-16-15(11-14)17(22)12-18-20(16,3)9-6-10-21(18,4)19(23)24-5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20-,21-/m1/s1

InChIKey

URPBIQPJABGDJD-HMXCVIKNSA-N

Smiles

CC(C)c1ccc2c(c1)C(=O)C[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C