CID 93045

Harpagide

Structural Information

Molecular Formula
C15H24O10
SMILES
C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
InChI
InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1
InChIKey
XUWSHXDEJOOIND-YYDKPPGPSA-N
Compound name
(1S,4aS,5R,7S,7aR)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

257
Patents

364.13693 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14421 176.0
[M+Na]+ 387.12615 180.7
[M+NH4]+ 382.17075 181.3
[M+K]+ 403.10009 180.3
[M-H]- 363.12965 175.4
[M+Na-2H]- 385.11160 174.3
[M]+ 364.13638 176.0
[M]- 364.13748 176.0
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

patents stripe