CID 13965085

Levistilide a

Structural Information

Molecular Formula
C24H28O4
SMILES
CCC/C=C\1/C2=C(C3C(CC2)C4CCC3\5C(=C4)C(=O)O/C5=C\CCC)C(=O)O1
InChI
InChI=1S/C24H28O4/c1-3-5-7-18-16-10-9-15-14-11-12-24(21(15)20(16)23(26)27-18)17(13-14)22(25)28-19(24)8-6-4-2/h7-8,13-15,21H,3-6,9-12H2,1-2H3/b18-7-,19-8-
InChIKey
UBBRXVRQZJSDAK-DZWUWFSDSA-N
Compound name
(6Z,16Z)-6,16-di(butylidene)-5,15-dioxapentacyclo[9.5.2.01,13.02,10.03,7]octadeca-3(7),12-diene-4,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1
Patents

380.19876 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 187.2
[M+Na]+ 403.18798 196.3
[M+NH4]+ 398.23258 197.6
[M+K]+ 419.16192 190.7
[M-H]- 379.19148 189.3
[M+Na-2H]- 401.17343 181.7
[M]+ 380.19821 189.1
[M]- 380.19931 189.1
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