Metabolite 8-OH-delta-9-Tetrahydrocannabinol

Name

8-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-YNPPLXCJSA-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

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

SMILES

[H][C@@]12C=C(C)C(O)C[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21

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, Positive (Annotated)	Predicted LC-MS/MS	splash10-0239-1193000000-17543ec62a2fbc800bb6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-faf3f0bcf85a492cc82f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-9473000000-1f853b00cf1226e19f5b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00dr-0091000000-a8cace4ed46f30a88921

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	183.19197	predicted	DeepCCS 1.0 (2019)
[M+H]+	185.55031	predicted	DeepCCS 1.0 (2019)
[M+Na]+	191.64343	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties