CID 480858

Tetrahydroglabrene

Structural Information

Molecular Formula
C20H22O4
SMILES
CC1(CCC2=C(C=CC(=C2O1)[C@H]3CC4=C(C=C(C=C4)O)OC3)O)C
InChI
InChI=1S/C20H22O4/c1-20(2)8-7-16-17(22)6-5-15(19(16)24-20)13-9-12-3-4-14(21)10-18(12)23-11-13/h3-6,10,13,21-22H,7-9,11H2,1-2H3/t13-/m0/s1
InChIKey
FJNQCKLJIAVCMD-ZDUSSCGKSA-N
Compound name
8-[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethyl-3,4-dihydrochromen-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1518 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 177.1
[M+Na]+ 349.14102 184.5
[M-H]- 325.14452 184.1
[M+NH4]+ 344.18562 191.3
[M+K]+ 365.11496 182.1
[M+H-H2O]+ 309.14906 168.9
[M+HCOO]- 371.15000 188.8
[M+CH3COO]- 385.16565 187.2
[M+Na-2H]- 347.12647 182.1
[M]+ 326.15125 175.7
[M]- 326.15235 175.7
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.