CID 49768365

6-.gamma..gamma.-dimethylallyldihydrokaempferol 7-o-.beta.-d-glucoside

Structural Information

Molecular Formula
C26H30O11
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)[C@@H]([C@H](O2)C3=CC=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C
InChI
InChI=1S/C26H30O11/c1-11(2)3-8-14-15(36-26-24(34)22(32)20(30)17(10-27)37-26)9-16-18(19(14)29)21(31)23(33)25(35-16)12-4-6-13(28)7-5-12/h3-7,9,17,20,22-30,32-34H,8,10H2,1-2H3/t17-,20-,22+,23+,24-,25-,26-/m1/s1
InChIKey
DZBBOCDYINLWCH-SBGBDRBGSA-N
Compound name
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

518.17883 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.18611 223.4
[M+Na]+ 541.16805 226.6
[M-H]- 517.17155 226.2
[M+NH4]+ 536.21265 223.0
[M+K]+ 557.14199 226.5
[M+H-H2O]+ 501.17609 214.2
[M+HCOO]- 563.17703 225.5
[M+CH3COO]- 577.19268 240.5
[M+Na-2H]- 539.15350 217.3
[M]+ 518.17828 223.3
[M]- 518.17938 223.3
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.