CID 15545521

2,3-di-o-dihydro-14,15-geranylgeranyl glycerol

Structural Information

Molecular Formula
C43H76O3
SMILES
CC(C)CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](CO)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)/C)/C)/C
InChI
InChI=1S/C43H76O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h21-22,25-26,29-30,35-36,43-44H,11-20,23-24,27-28,31-34H2,1-10H3/b37-21+,38-22+,39-25+,40-26+,41-29+,42-30+/t43-/m1/s1
InChIKey
DHHHFYDSRBIBBD-RWKMEJASSA-N
Compound name
(2R)-2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10-trienoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.57947 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.58675 259.2
[M+Na]+ 663.56869 269.1
[M-H]- 639.57219 253.7
[M+NH4]+ 658.61329 270.6
[M+K]+ 679.54263 275.2
[M+H-H2O]+ 623.57673 262.2
[M+HCOO]- 685.57767 247.9
[M+CH3COO]- 699.59332 275.9
[M+Na-2H]- 661.55414 247.4
[M]+ 640.57892 258.7
[M]- 640.58002 258.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.