CID 13942822

10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione

Structural Information

Molecular Formula
C25H32O5
SMILES
CC1=C2COC(=O)C2=C(C3=C1OC4(CCC5C(C(=O)CCC5(C4C3)C)(C)C)C)OC
InChI
InChI=1S/C25H32O5/c1-13-15-12-29-22(27)19(15)21(28-6)14-11-17-24(4)9-8-18(26)23(2,3)16(24)7-10-25(17,5)30-20(13)14/h16-17H,7-12H2,1-6H3
InChIKey
JCUWKPURUZEBFJ-UHFFFAOYSA-N
Compound name
10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

412.22498 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23226 195.1
[M+Na]+ 435.21420 204.3
[M-H]- 411.21770 202.5
[M+NH4]+ 430.25880 215.1
[M+K]+ 451.18814 201.5
[M+H-H2O]+ 395.22224 187.9
[M+HCOO]- 457.22318 202.1
[M+CH3COO]- 471.23883 204.7
[M+Na-2H]- 433.19965 196.8
[M]+ 412.22443 197.1
[M]- 412.22553 197.1
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