CID 131752230

8-angeloylegelolide

Structural Information

Molecular Formula
C19H24O6
SMILES
C/C=C(\C)/C(=O)OC1CC(C2=COC(=C2C3C1C(C(=O)O3)C)C)(C)O
InChI
InChI=1S/C19H24O6/c1-6-9(2)17(20)24-13-7-19(5,22)12-8-23-11(4)15(12)16-14(13)10(3)18(21)25-16/h6,8,10,13-14,16,22H,7H2,1-5H3/b9-6+
InChIKey
UUYOHEAYCPQMKY-RMKNXTFCSA-N
Compound name
(9-hydroxy-5,9,13-trimethyl-4-oxo-3,12-dioxatricyclo[8.3.0.02,6]trideca-1(13),10-dien-7-yl) (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.1573 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16458 179.5
[M+Na]+ 371.14652 185.6
[M+NH4]+ 366.19112 185.3
[M+K]+ 387.12046 185.9
[M-H]- 347.15002 180.2
[M+Na-2H]- 369.13197 177.5
[M]+ 348.15675 180.4
[M]- 348.15785 180.4
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