CID 6476654

4,6-epoxy-6-epideacetyllaurenobiolide

Structural Information

Molecular Formula
C14H18O4
SMILES
C/C/1=C\CCC2C(O2)[C@@H]([C@H]3C(C1)OC(=O)C3=C)O
InChI
InChI=1S/C14H18O4/c1-7-4-3-5-9-13(17-9)12(15)11-8(2)14(16)18-10(11)6-7/h4,9-13,15H,2-3,5-6H2,1H3/b7-4+/t9?,10?,11-,12-,13?/m1/s1
InChIKey
XDYGFFRYWFGWPQ-GUHYFVODSA-N
Compound name
(1S,2R,8E)-2-hydroxy-9-methyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.12051 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 148.4
[M+Na]+ 273.10973 158.7
[M-H]- 249.11323 152.5
[M+NH4]+ 268.15433 159.8
[M+K]+ 289.08367 157.6
[M+H-H2O]+ 233.11777 147.9
[M+HCOO]- 295.11871 162.8
[M+CH3COO]- 309.13436 192.7
[M+Na-2H]- 271.09518 151.1
[M]+ 250.11996 149.4
[M]- 250.12106 149.4
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.