CID 71315856

Schembl15884100

Structural Information

Molecular Formula
C17H32O10
SMILES
CC[C@@H]1C([C@@H]([C@@H](C(O1)COC[C@@H]2C([C@@H]([C@@H](C(O2)COC)O)OC)O)O)O)O
InChI
InChI=1S/C17H32O10/c1-4-8-12(18)16(22)13(19)10(26-8)6-25-7-11-15(21)17(24-3)14(20)9(27-11)5-23-2/h8-22H,4-7H2,1-3H3/t8-,9?,10?,11-,12?,13-,14-,15?,16+,17-/m1/s1
InChIKey
DPFYBZWSVVKNPZ-AQWIXGDGSA-N
Compound name
(3S,4S,6R)-2-[[(2R,4R,5R)-3,5-dihydroxy-4-methoxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-ethyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

782
Patents

396.19955 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.20683 192.2
[M+Na]+ 419.18877 195.0
[M-H]- 395.19227 192.8
[M+NH4]+ 414.23337 197.7
[M+K]+ 435.16271 196.2
[M+H-H2O]+ 379.19681 185.0
[M+HCOO]- 441.19775 198.9
[M+CH3COO]- 455.21340 215.8
[M+Na-2H]- 417.17422 188.4
[M]+ 396.19900 194.1
[M]- 396.20010 194.1
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.