CID 14379072

11,12-dimethylrosmanol

Structural Information

Molecular Formula
C22H30O5
SMILES
CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)O)OC)OC
InChI
InChI=1S/C22H30O5/c1-11(2)12-10-13-14(17(26-6)16(12)25-5)22-9-7-8-21(3,4)19(22)18(15(13)23)27-20(22)24/h10-11,15,18-19,23H,7-9H2,1-6H3
InChIKey
WLRZIPVGEMNPES-UHFFFAOYSA-N
Compound name
8-hydroxy-3,4-dimethoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.20932 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.21660 187.6
[M+Na]+ 397.19854 198.0
[M+NH4]+ 392.24314 198.0
[M+K]+ 413.17248 190.8
[M-H]- 373.20204 190.5
[M+Na-2H]- 395.18399 189.3
[M]+ 374.20877 190.2
[M]- 374.20987 190.2
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.