CID 163099939

Niveusin c

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
3
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]+ 379.175126 216.3
[M+Na]+ 401.157068 216.2
[M-H]- 377.160574 215.4
[M+NH4]+ 396.201673 215.5
[M+K]+ 417.131008 214.5
[M+H-H2O]+ 361.165110 207.0
[M+HCOO]- 423.166051 215.7
[M+CH3COO]- 437.181701 215.8
[M+Na-2H]- 399.142516 215.7
[M]+ 378.16730142 215.4
[M]- 378.16839858 215.4
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.