CID 87795540

Schembl5200105

Structural Information

Molecular Formula
C41H62O2
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)CCC(C)(C)OC)/C)/C)/C)C
InChI
InChI=1S/C41H62O2/c1-33(2)19-14-22-36(5)25-17-27-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-28-38(7)29-18-30-39(8)40(42)31-32-41(9,10)43-11/h12-13,16,18-21,24-26,28-30H,14-15,17,22-23,27,31-32H2,1-11H3/b13-12+,24-16+,29-18+,34-20+,35-21+,36-25+,37-26+,38-28+,39-30+
InChIKey
BDEDHHUJFASDSN-JXIKJKQBSA-N
Compound name
(6E,8E,10E,12E,14E,16E,18E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,22,26,30-decaen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

586.475 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.48228 240.4
[M+Na]+ 609.46422 254.4
[M-H]- 585.46772 240.5
[M+NH4]+ 604.50882 255.0
[M+K]+ 625.43816 258.3
[M+H-H2O]+ 569.47226 242.5
[M+HCOO]- 631.47320 238.9
[M+CH3COO]- 645.48885 264.4
[M+Na-2H]- 607.44967 232.8
[M]+ 586.47445 241.5
[M]- 586.47555 241.5
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.