CID 14484635

Betulalbuside a

Structural Information

Molecular Formula
C16H28O7
SMILES
C/C(=C\CCC(C)(C=C)O)/COC1C(C(C(C(O1)CO)O)O)O
InChI
InChI=1S/C16H28O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+
InChIKey
WEHZDNHJZBEGME-UXBLZVDNSA-N
Compound name
2-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 178.9
[M+Na]+ 355.17272 181.8
[M-H]- 331.17622 175.3
[M+NH4]+ 350.21732 188.2
[M+K]+ 371.14666 179.6
[M+H-H2O]+ 315.18076 173.6
[M+HCOO]- 377.18170 187.4
[M+CH3COO]- 391.19735 201.0
[M+Na-2H]- 353.15817 176.9
[M]+ 332.18295 177.6
[M]- 332.18405 177.6
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.