CID 131753104

Myristicanol a

Structural Information

Molecular Formula
C23H30O8
SMILES
CC(C(C1=CC(=C(C(=C1)OC)OC)OC)O)OC2=C(C=C(C=C2OC)/C=C\CO)OC
InChI
InChI=1S/C23H30O8/c1-14(21(25)16-12-19(28-4)22(30-6)20(13-16)29-5)31-23-17(26-2)10-15(8-7-9-24)11-18(23)27-3/h7-8,10-14,21,24-25H,9H2,1-6H3/b8-7-
InChIKey
QHYPOKHWZKVCEW-FPLPWBNLSA-N
Compound name
2-[4-[(Z)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]-1-(3,4,5-trimethoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

434.19406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20134 201.9
[M+Na]+ 457.18328 207.4
[M-H]- 433.18678 206.0
[M+NH4]+ 452.22788 210.4
[M+K]+ 473.15722 206.4
[M+H-H2O]+ 417.19132 192.9
[M+HCOO]- 479.19226 219.6
[M+CH3COO]- 493.20791 228.6
[M+Na-2H]- 455.16873 198.3
[M]+ 434.19351 212.2
[M]- 434.19461 212.2
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

patents stripe