CID 11100884

Glycerol ester of rosin

Structural Information

Molecular Formula
C23H36O4
SMILES
CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)OCC(CO)O)C
InChI
InChI=1S/C23H36O4/c1-15(2)16-6-8-19-17(12-16)7-9-20-22(19,3)10-5-11-23(20,4)21(26)27-14-18(25)13-24/h7,12,15,18-20,24-25H,5-6,8-11,13-14H2,1-4H3
InChIKey
HBKBEZURJSNABK-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

6732
Patents

376.26135 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.268626 194.9
[M+Na]+ 399.250568 196.9
[M-H]- 375.254074 195.1
[M+NH4]+ 394.295173 211.2
[M+K]+ 415.224508 193.6
[M+H-H2O]+ 359.258610 189.0
[M+HCOO]- 421.259551 201.5
[M+CH3COO]- 435.275201 217.6
[M+Na-2H]- 397.236016 193.1
[M]+ 376.26080142 191.3
[M]- 376.26189858 191.3
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.