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 183.1
[M+Na]+ 381.20364 194.8
[M+NH4]+ 376.24824 195.5
[M+K]+ 397.17758 184.0
[M-H]- 357.20714 185.5
[M+Na-2H]- 379.18909 183.4
[M]+ 358.21387 185.9
[M]- 358.21497 185.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.