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 176.8
[M+Na]+ 339.19308 182.1
[M-H]- 315.19658 180.3
[M+NH4]+ 334.23768 194.8
[M+K]+ 355.16702 177.8
[M+H-H2O]+ 299.20112 172.2
[M+HCOO]- 361.20206 191.0
[M+CH3COO]- 375.21771 212.0
[M+Na-2H]- 337.17853 169.7
[M]+ 316.20331 175.1
[M]- 316.20441 175.1
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.