CID 15491080

6-geranylgeranyl 8'-methyl 6,8'-diapocarotene-6,8'-dioate

Structural Information

Molecular Formula
C43H60O4
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)OC)/C)/C)/C)/C)/C)C
InChI
InChI=1S/C43H60O4/c1-34(2)18-13-21-37(5)23-14-24-38(6)25-16-27-40(8)32-33-47-42(44)31-30-39(7)26-15-22-35(3)19-11-12-20-36(4)28-17-29-41(9)43(45)46-10/h11-12,15,17-20,22-23,25-26,28-32H,13-14,16,21,24,27,33H2,1-10H3/b12-11+,22-15+,28-17+,31-30+,35-19+,36-20+,37-23+,38-25+,39-26+,40-32+,41-29+
InChIKey
KJAWBWQJDQHEDL-KQTSZGLPSA-N
Compound name
1-O-methyl 18-O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

640.44916 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.45644 251.4
[M+Na]+ 663.43838 267.1
[M-H]- 639.44188 254.9
[M+NH4]+ 658.48298 270.2
[M+K]+ 679.41232 269.7
[M+H-H2O]+ 623.44642 256.6
[M+HCOO]- 685.44736 246.1
[M+CH3COO]- 699.46301 270.2
[M+Na-2H]- 661.42383 244.3
[M]+ 640.44861 251.1
[M]- 640.44971 251.1
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.