CID 286477

2236-20-6

Structural Information

Molecular Formula
C21H28O3
SMILES
CC(=O)C1CCC2C1(CC3C4C2CC=C5C4(C(O3)CC(=O)C5)C)C
InChI
InChI=1S/C21H28O3/c1-11(22)15-6-7-16-14-5-4-12-8-13(23)9-18-21(12,3)19(14)17(24-18)10-20(15,16)2/h4,14-19H,5-10H2,1-3H3
InChIKey
OPUXITHSFGOSCT-UHFFFAOYSA-N
Compound name
4-acetyl-3,16-dimethyl-18-oxapentacyclo[13.2.1.03,7.08,17.011,16]octadec-10-en-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.20386 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.21114 179.2
[M+Na]+ 351.19308 187.5
[M+NH4]+ 346.23768 191.8
[M+K]+ 367.16702 181.0
[M-H]- 327.19658 181.7
[M+Na-2H]- 349.17853 177.9
[M]+ 328.20331 181.3
[M]- 328.20441 181.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.