CID 14379074

11,12-dimethoxy-8,11,13-abietatrien-20,7-olide

Structural Information

Molecular Formula
C22H30O4
SMILES
CC(C)C1=C(C(=C2C(=C1)C3CC4C2(CCCC4(C)C)C(=O)O3)OC)OC
InChI
InChI=1S/C22H30O4/c1-12(2)13-10-14-15-11-16-21(3,4)8-7-9-22(16,20(23)26-15)17(14)19(25-6)18(13)24-5/h10,12,15-16H,7-9,11H2,1-6H3
InChIKey
BMUVJFGCCPHXOJ-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

358.21442 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22170 184.4
[M+Na]+ 381.20364 189.5
[M-H]- 357.20714 186.5
[M+NH4]+ 376.24824 204.7
[M+K]+ 397.17758 187.7
[M+H-H2O]+ 341.21168 175.6
[M+HCOO]- 403.21262 190.0
[M+CH3COO]- 417.22827 192.9
[M+Na-2H]- 379.18909 189.5
[M]+ 358.21387 189.4
[M]- 358.21497 189.4
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

patents stripe