CID 18336661

3-oxo-7,15-pimaradien-19,6-olide

Structural Information

Molecular Formula
C20H26O3
SMILES
CC1(CCC2C(=CC3C4C2(CCC(=O)C4(C(=O)O3)C)C)C1)C=C
InChI
InChI=1S/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3
InChIKey
MPHXYQVSOFGNEN-UHFFFAOYSA-N
Compound name
5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

26
References

82
Patents

314.1882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 175.4
[M+Na]+ 337.17742 185.4
[M+NH4]+ 332.22202 188.5
[M+K]+ 353.15136 174.5
[M-H]- 313.18092 178.3
[M+Na-2H]- 335.16287 178.1
[M]+ 314.18765 178.0
[M]- 314.18875 178.0
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

patents stripe