CID 23426980

(1r,3s,10r,17s)-3,10,14-trimethyl-7-methylidene-16-oxatricyclo[8.6.1.013,17]heptadec-13-ene-5,15-dione

Structural Information

Molecular Formula
C20H28O3
SMILES
C[C@H]1C[C@@H]2[C@@H]3C(=C(C(=O)O2)C)CC[C@]3(CCC(=C)CC(=O)C1)C
InChI
InChI=1S/C20H28O3/c1-12-5-7-20(4)8-6-16-14(3)19(22)23-17(18(16)20)11-13(2)10-15(21)9-12/h13,17-18H,1,5-11H2,2-4H3/t13-,17-,18+,20-/m1/s1
InChIKey
NWJFACOHEKJWOZ-NJOALTMESA-N
Compound name
(1R,3S,10R,17S)-3,10,14-trimethyl-7-methylidene-16-oxatricyclo[8.6.1.013,17]heptadec-13-ene-5,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 173.3
[M+Na]+ 339.19308 179.9
[M-H]- 315.19658 175.7
[M+NH4]+ 334.23768 190.6
[M+K]+ 355.16702 177.1
[M+H-H2O]+ 299.20112 172.0
[M+HCOO]- 361.20206 185.1
[M+CH3COO]- 375.21771 206.2
[M+Na-2H]- 337.17853 171.5
[M]+ 316.20331 168.2
[M]- 316.20441 168.2
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.