CID 101883475

Yoshinone b1

Structural Information

Molecular Formula
C21H32O6
SMILES
CC1=C(OC(=C(C1=O)C)OC)/C=C/C(C)(CCC(/C(=C/C(C)O)/C)OC)O
InChI
InChI=1S/C21H32O6/c1-13(12-14(2)22)17(25-6)8-10-21(5,24)11-9-18-15(3)19(23)16(4)20(26-7)27-18/h9,11-12,14,17,22,24H,8,10H2,1-7H3/b11-9+,13-12+
InChIKey
LVQGAOXDSKNQRU-GNDASISDSA-N
Compound name
2-[(1E,7E)-3,9-dihydroxy-6-methoxy-3,7-dimethyldeca-1,7-dienyl]-6-methoxy-3,5-dimethylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21988 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22716 191.2
[M+Na]+ 403.20910 196.5
[M-H]- 379.21260 192.6
[M+NH4]+ 398.25370 201.2
[M+K]+ 419.18304 195.1
[M+H-H2O]+ 363.21714 185.0
[M+HCOO]- 425.21808 205.2
[M+CH3COO]- 439.23373 219.3
[M+Na-2H]- 401.19455 188.4
[M]+ 380.21933 198.1
[M]- 380.22043 198.1
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

No patent data available for this compound.