CID 159529

Teucrin a

Structural Information

Molecular Formula
C19H20O6
SMILES
C[C@@H]1[C@@H]([C@H]2C3=C(CCC[C@@H]3[C@@]14C[C@H](OC4=O)C5=COC=C5)C(=O)O2)O
InChI
InChI=1S/C19H20O6/c1-9-15(20)16-14-11(17(21)25-16)3-2-4-12(14)19(9)7-13(24-18(19)22)10-5-6-23-8-10/h5-6,8-9,12-13,15-16,20H,2-4,7H2,1H3/t9-,12+,13+,15+,16-,19-/m1/s1
InChIKey
AONLJCCUYGGOSW-PJERILTQSA-N
Compound name
(1R,5'S,8S,9S,10S,11S)-5'-(furan-3-yl)-11-hydroxy-10-methylspiro[2-oxatricyclo[6.3.1.04,12]dodec-4(12)-ene-9,3'-oxolane]-2',3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

344.12598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 173.7
[M+Na]+ 367.11520 183.0
[M+NH4]+ 362.15980 182.8
[M+K]+ 383.08914 183.2
[M-H]- 343.11870 179.9
[M+Na-2H]- 365.10065 173.4
[M]+ 344.12543 176.7
[M]- 344.12653 176.7
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.