CID 131752427

(ent-15beta,16beta)-15,16-epoxy-3-kauranone

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1(C2CCC34CC(CCC3C2(CCC1=O)C)C5(C4O5)C)C
InChI
InChI=1S/C20H30O2/c1-17(2)13-7-10-20-11-12(19(4)16(20)22-19)5-6-14(20)18(13,3)9-8-15(17)21/h12-14,16H,5-11H2,1-4H3
InChIKey
SVKMTDSTFGJBCS-UHFFFAOYSA-N
Compound name
5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.22458 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 175.3
[M+Na]+ 325.21380 187.0
[M+NH4]+ 320.25840 191.8
[M+K]+ 341.18774 175.6
[M-H]- 301.21730 186.6
[M+Na-2H]- 323.19925 181.5
[M]+ 302.22403 182.1
[M]- 302.22513 182.1
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.