CID 13890715

Ent-17-hydroxykaur-15-en-19-oic acid

Structural Information

Molecular Formula
C20H30O3
SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(=C4)CO)(C)C(=O)O
InChI
InChI=1S/C20H30O3/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/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)
InChIKey
XEQHVCXFKPCQNM-UHFFFAOYSA-N
Compound name
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.21948 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.22676 180.4
[M+Na]+ 341.20870 185.0
[M-H]- 317.21220 181.3
[M+NH4]+ 336.25330 204.0
[M+K]+ 357.18264 179.3
[M+H-H2O]+ 301.21674 174.8
[M+HCOO]- 363.21768 187.4
[M+CH3COO]- 377.23333 188.5
[M+Na-2H]- 339.19415 181.7
[M]+ 318.21893 174.5
[M]- 318.22003 174.5
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.