CID 131751666

8-epidiosbulbin e acetate

Structural Information

Molecular Formula
C21H24O7
SMILES
CC(=O)OC1CC2C(=O)OC(CC2(C3C1C4CC(C3)OC4=O)C)C5=COC=C5
InChI
InChI=1S/C21H24O7/c1-10(22)26-16-7-15-20(24)28-17(11-3-4-25-9-11)8-21(15,2)14-6-12-5-13(18(14)16)19(23)27-12/h3-4,9,12-18H,5-8H2,1-2H3
InChIKey
DYSOIAQEKRDXRB-UHFFFAOYSA-N
Compound name
[8-(furan-3-yl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

4
Patents

388.1522 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 187.4
[M+Na]+ 411.14142 195.8
[M+NH4]+ 406.18602 195.7
[M+K]+ 427.11536 194.0
[M-H]- 387.14492 192.1
[M+Na-2H]- 409.12687 184.5
[M]+ 388.15165 189.8
[M]- 388.15275 189.8
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