CID 162345249

Ns00133390

Structural Information

Molecular Formula
C19H26O4
SMILES
CC12CC(C3C(C1CCC2=O)CCC4=CC(=O)CC4C3(C)O)O
InChI
InChI=1S/C19H26O4/c1-18-9-15(21)17-12(13(18)5-6-16(18)22)4-3-10-7-11(20)8-14(10)19(17,2)23/h7,12-15,17,21,23H,3-6,8-9H2,1-2H3
InChIKey
JVBNGIUSCPSMSK-UHFFFAOYSA-N
Compound name
2,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.03,7.011,15]heptadec-6-ene-5,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1831 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.190376 177.0
[M+Na]+ 341.172318 183.6
[M-H]- 317.175824 181.7
[M+NH4]+ 336.216923 199.5
[M+K]+ 357.146258 179.1
[M+H-H2O]+ 301.180360 174.3
[M+HCOO]- 363.181301 187.7
[M+CH3COO]- 377.196951 186.5
[M+Na-2H]- 339.157766 175.5
[M]+ 318.18255142 170.4
[M]- 318.18364858 170.4
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.