CID 163099939

[(1s,2z,4s,8r,9r,11r,12s)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (z)-2-methylbut-2-enoate

Structural Information

Molecular Formula
C20H26O7
SMILES
C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2([C@H](C[C@](O2)(/C(=C\[C@H]3[C@@H]1C(=C)C(=O)O3)/C)O)O)C
InChI
InChI=1S/C20H26O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h6-7,13-16,21,24H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15-,16-,19+,20-/m0/s1
InChIKey
WGVJNQGTZSPMCY-GEYOPIBESA-N
Compound name
[(1S,2Z,4S,8R,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

378.16785 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17513 200.2
[M+Na]+ 401.15707 200.9
[M+NH4]+ 396.20167 201.0
[M+K]+ 417.13101 199.0
[M-H]- 377.16057 200.0
[M+Na-2H]- 399.14252 197.8
[M]+ 378.16730 200.3
[M]- 378.16840 200.3
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.