CID 14409606

(8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-hydroxy-6,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-8,10,12,14,16,18,20,22,24-nonaen-7-one

Structural Information

Molecular Formula
C40H58O2
SMILES
CC1=C(C(CCC1)(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)CCCC(C)O)/C)/C
InChI
InChI=1S/C40H58O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28,36,41H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey
TUNCSYYNDGSMRA-JLTXGRSLSA-N
Compound name
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-hydroxy-6,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-8,10,12,14,16,18,20,22,24-nonaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.44366 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.45094 230.4
[M+Na]+ 593.43288 243.8
[M-H]- 569.43638 229.6
[M+NH4]+ 588.47748 240.5
[M+K]+ 609.40682 244.6
[M+H-H2O]+ 553.44092 239.7
[M+HCOO]- 615.44186 237.3
[M+CH3COO]- 629.45751 258.4
[M+Na-2H]- 591.41833 222.3
[M]+ 570.44311 230.2
[M]- 570.44421 230.2
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.