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
1
Annotation Hits

0
References

0
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

No patent data available for this compound.