CID 156908036

188895-39-8

Structural Information

Molecular Formula
C19H22O7
SMILES
C[C@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3([C@@H]([C@H]6[C@@H]1O6)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)/t8-,9-,10+,11-,12-,13+,16+,17+,18+,19-/m1/s1
InChIKey
GHWOQFZWXKNOMS-NRZJQWMRSA-N
Compound name
(1R,2R,5S,8S,9S,10R,11S,12R,14S,15R)-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

20
Patents

362.13657 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.143846 172.9
[M+Na]+ 385.125788 183.0
[M-H]- 361.129294 177.5
[M+NH4]+ 380.170393 193.0
[M+K]+ 401.099728 179.2
[M+H-H2O]+ 345.133830 174.2
[M+HCOO]- 407.134771 174.7
[M+CH3COO]- 421.150421 182.5
[M+Na-2H]- 383.111236 175.6
[M]+ 362.13602142 177.7
[M]- 362.13711858 177.7
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.