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
4
Annotation Hits

26
References

86
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 171.6
[M+Na]+ 337.17742 179.7
[M-H]- 313.18092 176.7
[M+NH4]+ 332.22202 196.1
[M+K]+ 353.15136 175.2
[M+H-H2O]+ 297.18546 165.9
[M+HCOO]- 359.18640 182.1
[M+CH3COO]- 373.20205 182.4
[M+Na-2H]- 335.16287 174.8
[M]+ 314.18765 169.8
[M]- 314.18875 169.8
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.