CID 23244459

(4e,6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-31-hydroxy-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaen-3-one

Structural Information

Molecular Formula
C41H58O3
SMILES
C/C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)C(C)(C)OC)\C)\C)/CCCC(C)(C)O
InChI
InChI=1S/C41H58O3/c1-33(21-14-23-35(3)25-16-27-37(5)29-18-32-40(7,8)43)19-12-13-20-34(2)22-15-24-36(4)26-17-28-38(6)30-31-39(42)41(9,10)44-11/h12-17,19-28,30-31,43H,18,29,32H2,1-11H3/b13-12+,21-14+,22-15+,25-16+,26-17+,31-30+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+
InChIKey
JGOKKZLOXUBOQC-CCPVQMKISA-N
Compound name
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-31-hydroxy-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26-dodecaen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.4386 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.44588 234.9
[M+Na]+ 621.42782 247.8
[M-H]- 597.43132 237.9
[M+NH4]+ 616.47242 248.6
[M+K]+ 637.40176 251.6
[M+H-H2O]+ 581.43586 233.9
[M+HCOO]- 643.43680 236.7
[M+CH3COO]- 657.45245 260.5
[M+Na-2H]- 619.41327 227.0
[M]+ 598.43805 236.0
[M]- 598.43915 236.0
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.