(6aR,10aR)-Rel-6a,7,8,10a-tetrahydro-1-hydroxy-6,6-di(methyl-d3)-3-(pentyl-5,5,5-d3)-6H-dibenzo(B,D)pyran-9-carboxylic acid

cas: 136765-52-1 — see every product listed under this CAS number, including other names

(6aR,10aR)-Rel-6a,7,8,10a-tetrahydro-1-hydroxy-6,6-di(methyl-d3)-3-(pentyl-5,5,5-d3)-6H-dibenzo(B,D)pyran-9-carboxylic acid (CAS 136765-52-1) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Biosynth.

• 2D
• 3D

(6aR,10aR)-1-hydroxy-6,6-bis(trideuteriomethyl)-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid (CAS 136765-52-1) is a chemical compound with the molecular formula C21H28O4 and a molecular weight of 353.5 g/mol. IUPAC name: (6aR,10aR)-1-hydroxy-6,6-bis(trideuteriomethyl)-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid. InChIKey: YOVRGSHRZRJTLZ-QLEMHBSZSA-N.

Identity

Molecular formula	C21H28O4
Molecular weight	353.5 g/mol
IUPAC name	(6aR,10aR)-1-hydroxy-6,6-bis(trideuteriomethyl)-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
InChIKey	YOVRGSHRZRJTLZ-QLEMHBSZSA-N
SMILES	[2H]C([2H])([2H])CCCCC1=CC(=C2[C@@H]3C=C(CC[C@H]3C(OC2=C1)(C([2H])([2H])[2H])C([2H])([2H])[2H])C(=O)O)O

Computed by PubChem (NCBI)

Synonyms: (+/-)-11-nor-delta-9-THCcarboxylic acid-D9, (+/-)-11-nor-delta-9-THCcarboxylic acid-D9, 1mg/ml in Methanol, (+/-)-11-nor-delta-9-THCcarboxylic acid-D9, 0.1mg/ml in Methanol

Related forms of this compound

(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid C₂₁H₂₈O₄

(6aS,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid C₂₁H₂₈O₄

(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid C₂₁H₂₈O₄

1-hydroxy-6,6-dimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid C₂₁H₂₈O₄

1-hydroxy-6,6-bis(trideuteriomethyl)-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid C₂₁H₂₈O₄

(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(5,5,5-trideuteriopentyl)-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid C₂₁H₂₈O₄

Isomers (same molecular formula)

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C₂₁H₂₈O₄

2-[(8S,9R,10R,11S,13S,14R,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetaldehyde C₂₁H₂₈O₄

(6S,8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C₂₁H₂₈O₄

(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C₂₁H₂₈O₄

2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid C₂₁H₂₈O₄

(8S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one C₂₁H₂₈O₄