Metabolite 8alpha-OH-delta-9-Tetrahydrocannabinol

Name

8alpha-OH-delta-9-Tetrahydrocannabinol

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 330.468
Monoisotopic: 330.219494826

Chemical Formula

C₂₁H₃₀O₃

InChI Key

INKUWBOHCFHXTJ-PWZMFNOBSA-N

InChI

InChI=1S/C21H30O3/c1-5-6-7-8-14-10-18(23)20-15-9-13(2)17(22)12-16(15)21(3,4)24-19(20)11-14/h9-11,15-17,22-23H,5-8,12H2,1-4H3/t15-,16?,17-/m1/s1

IUPAC Name

(8R,10aR)-6,6,9-trimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-1,8-diol

SMILES

CCCCCC1=CC(O)=C2[C@@H]3C=C(C)[C@H](O)CC3C(C)(C)OC2=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03e9-0309000000-e6827584a06ff6498b06
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-3c91d1eeb0ef3f473dc8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-faf3f0bcf85a492cc82f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0239-1193000000-17543ec62a2fbc800bb6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dr-0091000000-a8cace4ed46f30a88921
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9473000000-1f853b00cf1226e19f5b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	193.31093	predicted	DeepCCS 1.0 (2019)
[M+H]+	195.66893	predicted	DeepCCS 1.0 (2019)
[M+Na]+	202.77837	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties