CID 16061257

3',4'-dihydrorhodovibrin

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

586.475 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.48228 236.8
[M+Na]+ 609.46422 248.6
[M-H]- 585.46772 236.2
[M+NH4]+ 604.50882 247.5
[M+K]+ 625.43816 252.8
[M+H-H2O]+ 569.47226 234.9
[M+HCOO]- 631.47320 239.3
[M+CH3COO]- 645.48885 260.3
[M+Na-2H]- 607.44967 227.6
[M]+ 586.47445 237.8
[M]- 586.47555 237.8
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.