CID 3481851

Ent-17-hydroxy-16beta-kauran-19-al

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)CO)C)C=O
InChI
InChI=1S/C20H32O2/c1-18(13-22)7-3-8-19(2)16(18)6-9-20-10-14(4-5-17(19)20)15(11-20)12-21/h13-17,21H,3-12H2,1-2H3
InChIKey
ACXLVKYMISNUFD-UHFFFAOYSA-N
Compound name
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

304.24023 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 178.6
[M+Na]+ 327.22945 186.4
[M+NH4]+ 322.27405 192.5
[M+K]+ 343.20339 174.8
[M-H]- 303.23295 180.3
[M+Na-2H]- 325.21490 181.0
[M]+ 304.23968 180.5
[M]- 304.24078 180.5
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.