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]+ 375.216596 187.2
[M+Na]+ 397.198538 195.1
[M-H]- 373.202044 192.7
[M+NH4]+ 392.243143 206.6
[M+K]+ 413.172478 192.7
[M+H-H2O]+ 357.206580 181.8
[M+HCOO]- 419.207521 198.0
[M+CH3COO]- 433.223171 222.1
[M+Na-2H]- 395.183986 187.3
[M]+ 374.20877142 190.7
[M]- 374.20986858 190.7
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.