CID 157010032

1-(4-o-beta-d-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane

Structural Information

Molecular Formula
C25H42O7
SMILES
CCCCCC(C)CC(C)CCC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC
InChI
InChI=1S/C25H42O7/c1-5-6-7-8-16(2)13-17(3)9-10-18-11-12-19(20(14-18)30-4)31-25-24(29)23(28)22(27)21(15-26)32-25/h11-12,14,16-17,21-29H,5-10,13,15H2,1-4H3/t16?,17?,21-,22-,23+,24-,25-/m1/s1
InChIKey
VFLYULAVOFVIAM-RRDRPCBCSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[4-(3,5-dimethyldecyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.29306 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.30034 214.6
[M+Na]+ 477.28228 221.7
[M+NH4]+ 472.32688 217.2
[M+K]+ 493.25622 218.2
[M-H]- 453.28578 215.3
[M+Na-2H]- 475.26773 212.7
[M]+ 454.29251 215.3
[M]- 454.29361 215.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.