CID 25229139

Methyl phomopsenonate

Structural Information

Molecular Formula
C21H30O3
SMILES
CC1=C2CC[C@@H]([C@]23C[C@]4(CCC([C@H]4[C@@H]3CC1=O)(C)C)C)C(=O)OC
InChI
InChI=1S/C21H30O3/c1-12-13-6-7-14(18(23)24-5)21(13)11-20(4)9-8-19(2,3)17(20)15(21)10-16(12)22/h14-15,17H,6-11H2,1-5H3/t14-,15+,17-,20-,21+/m1/s1
InChIKey
PYIWJULOBQCXEN-ZCTIPADRSA-N
Compound name
methyl (1R,2S,9S,10R,14R)-6,11,11,14-tetramethyl-7-oxotetracyclo[7.6.0.01,5.010,14]pentadec-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

330.21948 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.22676 178.9
[M+Na]+ 353.20870 185.7
[M+NH4]+ 348.25330 191.5
[M+K]+ 369.18264 180.0
[M-H]- 329.21220 179.9
[M+Na-2H]- 351.19415 181.1
[M]+ 330.21893 180.4
[M]- 330.22003 180.4
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.