CID 53463161

Methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-dodecahydro-1h-naphtho[2,1-c]pyran-7-carboxylate

Structural Information

Molecular Formula
C20H24O7
SMILES
CC12CC(OC(=O)C1CC(=O)C3C2CC(CC3C(=O)OC)O)C4=COC=C4
InChI
InChI=1S/C20H24O7/c1-20-8-16(10-3-4-26-9-10)27-19(24)14(20)7-15(22)17-12(18(23)25-2)5-11(21)6-13(17)20/h3-4,9,11-14,16-17,21H,5-8H2,1-2H3
InChIKey
LPHWMSVPEOJPHG-UHFFFAOYSA-N
Compound name
methyl 2-(furan-3-yl)-9-hydroxy-10b-methyl-4,6-dioxo-1,2,4a,5,6a,7,8,9,10,10a-decahydrobenzo[f]isochromene-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.1522 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 185.1
[M+Na]+ 399.14142 194.0
[M+NH4]+ 394.18602 192.5
[M+K]+ 415.11536 190.5
[M-H]- 375.14492 189.0
[M+Na-2H]- 397.12687 185.0
[M]+ 376.15165 187.3
[M]- 376.15275 187.3
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

patents stripe