CID 14527064

Cavipetin d

Structural Information

Molecular Formula
C25H38O5
SMILES
C/C(=C\CC/C(=C/COC(=O)/C(=C/C(=O)O)/C)/C)/CC/C=C(\C)/CC/C=C(\C)/CO
InChI
InChI=1S/C25H38O5/c1-19(9-6-10-20(2)12-8-14-22(4)18-26)11-7-13-21(3)15-16-30-25(29)23(5)17-24(27)28/h10-11,14-15,17,26H,6-9,12-13,16,18H2,1-5H3,(H,27,28)/b19-11+,20-10+,21-15+,22-14+,23-17+
InChIKey
OYLSINCAGYDFBO-SDWHTVMGSA-N
Compound name
(E)-4-[(2E,6E,10E,14E)-16-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]-3-methyl-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

418.2719 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.27918 202.9
[M+Na]+ 441.26112 213.3
[M-H]- 417.26462 202.5
[M+NH4]+ 436.30572 211.0
[M+K]+ 457.23506 210.5
[M+H-H2O]+ 401.26916 203.5
[M+HCOO]- 463.27010 202.4
[M+CH3COO]- 477.28575 224.8
[M+Na-2H]- 439.24657 196.1
[M]+ 418.27135 201.4
[M]- 418.27245 201.4
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.