CID 124222256

C22h30o5

Structural Information

Molecular Formula
C22H30O5
SMILES
CC(=O)OC1CCC(C2C1(C(=O)CCC3C=C(C(C2)O)C(=O)C3=C)C)(C)C
InChI
InChI=1S/C22H30O5/c1-12-14-6-7-18(25)22(5)17(11-16(24)15(10-14)20(12)26)21(3,4)9-8-19(22)27-13(2)23/h10,14,16-17,19,24H,1,6-9,11H2,2-5H3
InChIKey
NUUWPMNNBHROPI-UHFFFAOYSA-N
Compound name
(2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-8-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.20932 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.216596 185.4
[M+Na]+ 397.198538 192.7
[M-H]- 373.202044 185.0
[M+NH4]+ 392.243143 203.4
[M+K]+ 413.172478 189.0
[M+H-H2O]+ 357.206580 185.5
[M+HCOO]- 419.207521 195.3
[M+CH3COO]- 433.223171 215.6
[M+Na-2H]- 395.183986 182.8
[M]+ 374.20877142 182.4
[M]- 374.20986858 182.4
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

patents stripe