CID 14634289

Oryzalide a

Structural Information

Molecular Formula
C19H28O4
SMILES
CC1(C2CCC34CC(CCC3C2(C(OC1=O)O)C)C5(C4O5)C)C
InChI
InChI=1S/C19H28O4/c1-16(2)11-7-8-19-9-10(18(4)13(19)23-18)5-6-12(19)17(11,3)15(21)22-14(16)20/h10-13,15,21H,5-9H2,1-4H3
InChIKey
JEZFFKVMFCDTRK-UHFFFAOYSA-N
Compound name
8-hydroxy-5,5,9,14-tetramethyl-7,15-dioxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecan-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

320.19876 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 175.8
[M+Na]+ 343.18798 187.0
[M+NH4]+ 338.23258 191.1
[M+K]+ 359.16192 177.6
[M-H]- 319.19148 187.2
[M+Na-2H]- 341.17343 180.6
[M]+ 320.19821 182.6
[M]- 320.19931 182.6
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.