CID 101883476

Yoshinone a

Structural Information

Molecular Formula
C21H32O5
SMILES
CC1=C(OC(=C(C1=O)C)OC)C/C=C(\C)/CCC(/C(=C/C(C)O)/C)OC
InChI
InChI=1S/C21H32O5/c1-13(8-10-18(24-6)14(2)12-15(3)22)9-11-19-16(4)20(23)17(5)21(25-7)26-19/h9,12,15,18,22H,8,10-11H2,1-7H3/b13-9+,14-12+
InChIKey
JRYSFTQQWLHNHH-IHJNGOQESA-N
Compound name
2-[(2E,7E)-9-hydroxy-6-methoxy-3,7-dimethyldeca-2,7-dienyl]-6-methoxy-3,5-dimethylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

364.22498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.232256 189.4
[M+Na]+ 387.214198 194.7
[M-H]- 363.217704 191.9
[M+NH4]+ 382.258803 200.6
[M+K]+ 403.188138 193.3
[M+H-H2O]+ 347.222240 182.6
[M+HCOO]- 409.223181 205.2
[M+CH3COO]- 423.238831 219.9
[M+Na-2H]- 385.199646 184.4
[M]+ 364.22443142 196.5
[M]- 364.22552858 196.5
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.