CID 131751157

Chebi:175641

Structural Information

Molecular Formula
C19H22O7
SMILES
CC12C3C(C45CC(=C)C(C4)(CCC5C3(C(C6C1O6)O)OC2=O)O)C(=O)O
InChI
InChI=1S/C19H22O7/c1-7-5-17-6-18(7,24)4-3-8(17)19-11(9(17)14(21)22)16(2,15(23)26-19)13-10(25-13)12(19)20/h8-13,20,24H,1,3-6H2,2H3,(H,21,22)
InChIKey
GHWOQFZWXKNOMS-UHFFFAOYSA-N
Compound name
5,15-dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

362.13657 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14385 179.8
[M+Na]+ 385.12579 187.0
[M+NH4]+ 380.17039 192.6
[M+K]+ 401.09973 184.1
[M-H]- 361.12929 187.8
[M+Na-2H]- 383.11124 180.6
[M]+ 362.13602 184.6
[M]- 362.13712 184.6
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.