CID 443337

8-epiiridodial glucoside

Structural Information

Molecular Formula
C16H26O7
SMILES
C[C@@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H26O7/c1-7-3-4-9-8(2)6-21-15(11(7)9)23-16-14(20)13(19)12(18)10(5-17)22-16/h6-7,9-20H,3-5H2,1-2H3/t7-,9-,10-,11-,12-,13+,14-,15+,16+/m1/s1
InChIKey
UKWQRDBDDIGHEQ-XLOWEYQUSA-N
Compound name
(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7R,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16785 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17513 176.4
[M+Na]+ 353.15707 181.2
[M-H]- 329.16057 179.6
[M+NH4]+ 348.20167 188.2
[M+K]+ 369.13101 180.3
[M+H-H2O]+ 313.16511 171.5
[M+HCOO]- 375.16605 185.0
[M+CH3COO]- 389.18170 203.3
[M+Na-2H]- 351.14252 174.1
[M]+ 330.16730 174.4
[M]- 330.16840 174.4
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.