CID 155903262

Chebi:169927

Structural Information

Molecular Formula
C19H22O5
SMILES
C[C@H]1C[C@H](C(=O)C2=C([C@]3(C[C@H](C=C[C@H]3/C=C/C1=O)C)OC2=O)O)C
InChI
InChI=1S/C19H22O5/c1-10-4-5-13-6-7-14(20)11(2)8-12(3)16(21)15-17(22)19(13,9-10)24-18(15)23/h4-7,10-13,22H,8-9H2,1-3H3/b7-6+/t10-,11-,12+,13-,19+/m0/s1
InChIKey
OWDPBNOVKXSRIH-RSAQLFCCSA-N
Compound name
(1R,3R,6S,7E,10S,12R)-17-hydroxy-3,10,12-trimethyl-16-oxatricyclo[12.2.1.01,6]heptadeca-4,7,14(17)-triene-9,13,15-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.14673 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 172.3
[M+Na]+ 353.13595 183.0
[M+NH4]+ 348.18055 179.7
[M+K]+ 369.10989 177.7
[M-H]- 329.13945 174.2
[M+Na-2H]- 351.12140 173.5
[M]+ 330.14618 174.1
[M]- 330.14728 174.1
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.