CID 3057946

Delta(sup 8)-tetrahydrocannabinol glucuronide sodium salt

Structural Information

Molecular Formula
C27H38O8
SMILES
CCCCC[C@@]1([C@@H]([C@H](O[C@H]([C@@H]1O)OC2=CC=CC3=C2[C@@H]4C=C(C=C[C@H]4CO3)C)C(C)(O)OC)O)O
InChI
InChI=1S/C27H38O8/c1-5-6-7-13-27(31)22(28)24(26(3,30)32-4)35-25(23(27)29)34-20-10-8-9-19-21(20)18-14-16(2)11-12-17(18)15-33-19/h8-12,14,17-18,22-25,28-31H,5-7,13,15H2,1-4H3/t17-,18+,22+,23-,24-,25+,26?,27-/m0/s1
InChIKey
GZHCUDQECQZMHU-PYOWHVGDSA-N
Compound name
(2S,3R,4S,5R,6S)-2-[[(6aR,10aR)-9-methyl-6a,10a-dihydro-6H-benzo[c]chromen-1-yl]oxy]-6-(1-hydroxy-1-methoxyethyl)-4-pentyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

490.25668 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.26396 218.3
[M+Na]+ 513.24590 227.6
[M+NH4]+ 508.29050 223.8
[M+K]+ 529.21984 221.9
[M-H]- 489.24940 221.7
[M+Na-2H]- 511.23135 218.3
[M]+ 490.25613 220.6
[M]- 490.25723 220.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.