CID 131751595

(4z,9a)-9-(3-methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one

Structural Information

Molecular Formula
C20H28O3
SMILES
C/C=C\1/C2C(CC(C(=C)C2CC1=O)OC(=O)C=C(C)C)C(C)C
InChI
InChI=1S/C20H28O3/c1-7-14-17(21)9-16-13(6)18(23-19(22)8-11(2)3)10-15(12(4)5)20(14)16/h7-8,12,15-16,18,20H,6,9-10H2,1-5H3/b14-7+
InChIKey
MZPCWAQWDXGSCO-VGOFMYFVSA-N
Compound name
[(1Z)-1-ethylidene-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 178.8
[M+Na]+ 339.19308 186.3
[M+NH4]+ 334.23768 184.5
[M+K]+ 355.16702 182.9
[M-H]- 315.19658 178.1
[M+Na-2H]- 337.17853 176.7
[M]+ 316.20331 179.1
[M]- 316.20441 179.1
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.