CID 100753

23566-96-3

Structural Information

Molecular Formula
C19H22O9
SMILES
CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C19H22O9/c1-7-3-9-4-10(22)5-11(14(9)16(24)13(7)8(2)21)27-19-18(26)17(25)15(23)12(6-20)28-19/h3-5,12,15,17-20,22-26H,6H2,1-2H3/t12-,15-,17+,18-,19-/m1/s1
InChIKey
VJDBDVUFFPRHSF-JZXZQAMYSA-N
Compound name
1-[1,6-dihydroxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

394.12637 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13365 189.7
[M+Na]+ 417.11559 199.3
[M+NH4]+ 412.16019 192.6
[M+K]+ 433.08953 198.1
[M-H]- 393.11909 190.1
[M+Na-2H]- 415.10104 188.3
[M]+ 394.12582 190.7
[M]- 394.12692 190.7
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.