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]+ 303.231856 174.9
[M+Na]+ 325.213798 183.8
[M-H]- 301.217304 180.7
[M+NH4]+ 320.258403 196.9
[M+K]+ 341.187738 181.2
[M+H-H2O]+ 285.221840 169.1
[M+HCOO]- 347.222781 180.7
[M+CH3COO]- 361.238431 184.7
[M+Na-2H]- 323.199246 178.7
[M]+ 302.22403142 175.5
[M]- 302.22512858 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.