CID 73073944

Ent-17-oxo-15-kauren-19-oic acid

Structural Information

Molecular Formula
C20H28O3
SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(=C4)C=O)(C)C(=O)O
InChI
InChI=1S/C20H28O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11-13,15-16H,3-10H2,1-2H3,(H,22,23)
InChIKey
DIURMAFIAYOVGU-UHFFFAOYSA-N
Compound name
14-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 178.6
[M+Na]+ 339.19308 186.5
[M+NH4]+ 334.23768 191.6
[M+K]+ 355.16702 176.1
[M-H]- 315.19658 179.6
[M+Na-2H]- 337.17853 181.2
[M]+ 316.20331 180.2
[M]- 316.20441 180.2
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

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No patent data available for this compound.