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 171.9
[M+Na]+ 353.13595 181.1
[M-H]- 329.13945 174.4
[M+NH4]+ 348.18055 188.2
[M+K]+ 369.10989 178.9
[M+H-H2O]+ 313.14399 171.1
[M+HCOO]- 375.14493 185.8
[M+CH3COO]- 389.16058 205.9
[M+Na-2H]- 351.12140 172.2
[M]+ 330.14618 171.1
[M]- 330.14728 171.1
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.