Metabolite 8,11-Dihydroxy-delta-9-THC

Name

8,11-Dihydroxy-delta-9-THC

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 346.4605
Monoisotopic: 346.214409448

Chemical Formula

C₂₁H₃₀O₄

InChI Key

XTDYIISRNODHHT-UHFFFAOYSA-N

InChI

InChI=1S/C21H30O4/c1-4-5-6-7-13-8-18(24)20-15-10-14(12-22)17(23)11-16(15)21(2,3)25-19(20)9-13/h8-10,15-17,22-24H,4-7,11-12H2,1-3H3

IUPAC Name

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

SMILES

CCCCCC1=CC(O)=C2C3C=C(CO)C(O)CC3C(C)(C)OC2=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00p0-3179000000-28a6923136186a6fd42b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0009000000-af4c771fb3a3c13a5681
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0009000000-931ed7b07e8b5454fc11
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0009000000-936b72245041359cf858
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-052b-1139000000-4815550b353613973099
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f79-1094000000-fd8ef0ca1cd7c7b46ccb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-5988000000-4a54fcf454ff5715423b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	194.68402	predicted	DeepCCS 1.0 (2019)
[M+H]+	197.04204	predicted	DeepCCS 1.0 (2019)
[M+Na]+	204.07867	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties