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 174.9
[M+Na]+ 325.21380 183.8
[M-H]- 301.21730 180.7
[M+NH4]+ 320.25840 196.9
[M+K]+ 341.18774 181.2
[M+H-H2O]+ 285.22184 169.1
[M+HCOO]- 347.22278 180.7
[M+CH3COO]- 361.23843 184.7
[M+Na-2H]- 323.19925 178.7
[M]+ 302.22403 175.5
[M]- 302.22513 175.5
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.