Metabolite 11-Nor-9-carboxy-delta-9-THC

Name

11-Nor-9-carboxy-delta-9-THC

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 344.4446
Monoisotopic: 344.198759384

Chemical Formula

C₂₁H₂₈O₄

InChI Key

YOVRGSHRZRJTLZ-UHFFFAOYSA-N

InChI

InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)

IUPAC Name

1-hydroxy-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-9-carboxylic acid

SMILES

CCCCCC1=CC(O)=C2C3C=C(CCC3C(C)(C)OC2=C1)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-056r-5197000000-73dcbb549204a1976d48
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0109000000-1daf5b2082a1c1b7ff14
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0009000000-cfed86a99dbe8f0ab047
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ta-1359000000-544c663bca0e319e955a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0029000000-ff2eab537824535e8fa2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052f-5796000000-0d35d9d18596d67b3160
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00ks-0093000000-361d52954a53f3fab48c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	201.8583834	predicted	DarkChem Lite v0.1.0
[M-H]-	191.0738	predicted	DeepCCS 1.0 (2019)
[M+H]+	203.9067834	predicted	DarkChem Lite v0.1.0
[M+H]+	193.46846	predicted	DeepCCS 1.0 (2019)
[M+Na]+	201.5282834	predicted	DarkChem Lite v0.1.0
[M+Na]+	201.17305	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties