CID 102249534

(6e,8e,10e,12e,14e,16e,18e,20e,22e,24e,26e)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-4,29-diol

Structural Information

Molecular Formula
C40H56O2
SMILES
CC(=CC(O)C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CC(O)C=C(C)C)\C)\C)\C)/C)/C)/C)C
InChI
InChI=1S/C40H56O2/c1-31(2)27-39(41)29-37(9)25-15-23-35(7)21-13-19-33(5)17-11-12-18-34(6)20-14-22-36(8)24-16-26-38(10)30-40(42)28-32(3)4/h11-28,39-42H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,23-15+,24-16+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+
InChIKey
ZYTNXYQYKBORNX-CATRKCNMSA-N
Compound name
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-4,29-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.42804 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.43532 231.3
[M+Na]+ 591.41726 245.8
[M-H]- 567.42076 233.0
[M+NH4]+ 586.46186 243.7
[M+K]+ 607.39120 248.2
[M+H-H2O]+ 551.42530 234.2
[M+HCOO]- 613.42624 223.2
[M+CH3COO]- 627.44189 255.3
[M+Na-2H]- 589.40271 224.7
[M]+ 568.42749 228.1
[M]- 568.42859 228.1
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.