CID 131752918

Flavidulol d

Structural Information

Molecular Formula
C35H56O3
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC1=C2C/C(=C\CC/C(=C\CC2=C(C=C1)OC)/C)/C
InChI
InChI=1S/C35H56O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35(36)38-34-27-26-33(37-4)31-25-24-29(2)21-20-22-30(3)28-32(31)34/h22,24,26-27H,5-21,23,25,28H2,1-4H3/b29-24-,30-22-
InChIKey
KEQNDOBNCIQHAL-QFMQDTALSA-N
Compound name
[(6Z,10Z)-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

524.423 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.43028 239.4
[M+Na]+ 547.41222 249.2
[M+NH4]+ 542.45682 243.6
[M+K]+ 563.38616 237.9
[M-H]- 523.41572 241.4
[M+Na-2H]- 545.39767 240.6
[M]+ 524.42245 241.1
[M]- 524.42355 241.1
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.