CID 131751596

(4z,9a)-9-angeloyloxy-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/c1-7-12(5)20(22)23-18-10-15(11(3)4)19-14(8-2)17(21)9-16(19)13(18)6/h7-8,11,15-16,18-19H,6,9-10H2,1-5H3/b12-7-,14-8+
InChIKey
PGPPNCWYWQGYAU-FHGRNIPQSA-N
Compound name
[(1Z)-1-ethylidene-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.211136 176.8
[M+Na]+ 339.193078 182.1
[M-H]- 315.196584 180.3
[M+NH4]+ 334.237683 194.8
[M+K]+ 355.167018 177.8
[M+H-H2O]+ 299.201120 172.2
[M+HCOO]- 361.202061 191.0
[M+CH3COO]- 375.217711 212.0
[M+Na-2H]- 337.178526 169.7
[M]+ 316.20331142 175.1
[M]- 316.20440858 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.