CID 131750876

(-)-farnesiferol c

Structural Information

Molecular Formula
C24H30O4
SMILES
C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/CCC3C(C4CCC3(O4)C)(C)C
InChI
InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12-
InChIKey
OCHZHKVSLMBEJP-VBKFSLOCSA-N
Compound name
7-[(Z)-3-methyl-5-(1,3,3-trimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)pent-2-enoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.21442 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 191.1
[M+Na]+ 405.20364 202.2
[M+NH4]+ 400.24824 201.6
[M+K]+ 421.17758 195.1
[M-H]- 381.20714 195.9
[M+Na-2H]- 403.18909 194.3
[M]+ 382.21387 194.4
[M]- 382.21497 194.4
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.