CID 14355411

[(1s,5r,7s)-5-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-7-yl] acetate

Structural Information

Molecular Formula
C17H26O10
SMILES
CC(=O)O[C@]1(C[C@H](C2C1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C
InChI
InChI=1S/C17H26O10/c1-7(19)27-17(2)5-9(20)8-3-4-24-15(11(8)17)26-16-14(23)13(22)12(21)10(6-18)25-16/h3-4,8-16,18,20-23H,5-6H2,1-2H3/t8?,9-,10-,11?,12-,13+,14-,15+,16+,17+/m1/s1
InChIKey
FLOXQRMTDDOZKF-VNIPIBBOSA-N
Compound name
[(1S,5R,7S)-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.1526 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15988 184.8
[M+Na]+ 413.14182 188.9
[M-H]- 389.14532 186.6
[M+NH4]+ 408.18642 195.0
[M+K]+ 429.11576 189.9
[M+H-H2O]+ 373.14986 180.7
[M+HCOO]- 435.15080 191.0
[M+CH3COO]- 449.16645 211.5
[M+Na-2H]- 411.12727 183.3
[M]+ 390.15205 185.1
[M]- 390.15315 185.1
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.