CID 57509488

B-dihydroplumericin

Structural Information

Molecular Formula
C15H16O6
SMILES
CC[C@H]1C2[C@@]3(C=C[C@H]4[C@@H]3[C@@H](O2)OC=C4C(=O)OC)OC1=O
InChI
InChI=1S/C15H16O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h4-8,10-11,14H,3H2,1-2H3/t7-,8+,10+,11?,14+,15-/m0/s1
InChIKey
LEYGRBGYJYVHJL-ZKQFBGJWSA-N
Compound name
methyl (1S,4S,8R,11S,14S)-11-ethyl-12-oxo-7,9,13-trioxatetracyclo[6.5.1.01,10.04,14]tetradeca-2,5-diene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.101976 160.9
[M+Na]+ 315.083918 169.5
[M-H]- 291.087424 169.4
[M+NH4]+ 310.128523 182.7
[M+K]+ 331.057858 170.6
[M+H-H2O]+ 275.091960 159.8
[M+HCOO]- 337.092901 177.1
[M+CH3COO]- 351.108551 174.2
[M+Na-2H]- 313.069366 163.4
[M]+ 292.09415142 167.9
[M]- 292.09524858 167.9
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.