CID 162643161

Chembl4776860

Structural Information

Molecular Formula
C15H18O5
SMILES
C[C@H]1[C@H]2/C=C/[C@](C[C@@H]3C=C(C[C@@H]2OC1=O)C(=O)O3)(C)O
InChI
InChI=1S/C15H18O5/c1-8-11-3-4-15(2,18)7-10-5-9(14(17)19-10)6-12(11)20-13(8)16/h3-5,8,10-12,18H,6-7H2,1-2H3/b4-3+/t8-,10-,11+,12-,15-/m0/s1
InChIKey
PFJAKPWQAPCECT-DJUSWWOQSA-N
Compound name
(3S,6S,7R,8E,10R,12R)-10-hydroxy-6,10-dimethyl-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),8-diene-5,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.11542 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 156.3
[M+Na]+ 301.10464 165.6
[M-H]- 277.10814 158.5
[M+NH4]+ 296.14924 175.3
[M+K]+ 317.07858 165.3
[M+H-H2O]+ 261.11268 157.5
[M+HCOO]- 323.11362 171.5
[M+CH3COO]- 337.12927 193.6
[M+Na-2H]- 299.09009 159.0
[M]+ 278.11487 156.7
[M]- 278.11597 156.7
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.