CID 15559041

Methyl 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate

Structural Information

Molecular Formula
C20H24O7
SMILES
CC12CC(OC13CC(C4C2CC(CC4C(=O)OC)O)OC3=O)C5=COC=C5
InChI
InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3
InChIKey
OPNWTAMLIMDKEY-UHFFFAOYSA-N
Compound name
methyl 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

376.1522 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.159476 181.5
[M+Na]+ 399.141418 187.9
[M-H]- 375.144924 190.2
[M+NH4]+ 394.186023 201.0
[M+K]+ 415.115358 187.8
[M+H-H2O]+ 359.149460 180.1
[M+HCOO]- 421.150401 191.2
[M+CH3COO]- 435.166051 192.0
[M+Na-2H]- 397.126866 181.4
[M]+ 376.15165142 184.3
[M]- 376.15274858 184.3
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

patents stripe