Products 65281-76-7

CAS 65281-76-7 appears in our catalog under these names: 14-Chlorodehydroabietic Acid, 14-Chlorodehydroabietic Acid, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 10mg, 2,5mg, 25mg.

14-Chlorodehydroabietic Acid
Chemat Brand
  • size: on request
  • Variants: 1
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14-Chlorodehydroabietic Acid, >95% (HPLC)
TRC
  • size: 10mg, 2,5mg, 25mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid (CAS 65281-76-7) is a chemical compound with the molecular formula C20H27ClO2 and a molecular weight of 334.9 g/mol. IUPAC name: (1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid. InChIKey: OFNBZEHVLIXXFL-NSISKUIASA-N.

Identity
Molecular formulaC20H27ClO2
Molecular weight334.9 g/mol
IUPAC name(1R,4aS,10aR)-8-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
InChIKeyOFNBZEHVLIXXFL-NSISKUIASA-N
SMILESCC(C)C1=C(C2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C)Cl

Computed by PubChem (NCBI)

Synonyms: 14-Chlorodehydroabietic acid, 14-Chloroabieta-8(14),9(11),12-trien-18-oic acid
Isomers (same molecular formula)
(8R,9S,10R,13S,14S,17S)-4-chloro-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C20H27ClO2
(1R,4aS,10aR)-6-chloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid C20H27ClO2