CID 74977634

Lucenin 2,7-o-rhamnoside

Structural Information

Molecular Formula
C33H40O20
SMILES
CC1C(C(C(C(O1)OC2=C(C(=C3C(=O)C=C(OC3=C2C4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)C6C(C(C(C(O6)CO)O)O)O)O)O)O
InChI
InChI=1S/C33H40O20/c1-8-19(39)23(43)28(48)33(49-8)53-30-17(31-26(46)24(44)20(40)14(6-34)51-31)22(42)16-12(38)5-13(9-2-3-10(36)11(37)4-9)50-29(16)18(30)32-27(47)25(45)21(41)15(7-35)52-32/h2-5,8,14-15,19-21,23-28,31-37,39-48H,6-7H2,1H3
InChIKey
JGKAYWDKUOHFBC-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5-hydroxy-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

756.2113 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 757.21858 255.2
[M+Na]+ 779.20052 255.6
[M+NH4]+ 774.24512 255.6
[M+K]+ 795.17446 263.0
[M-H]- 755.20402 249.7
[M+Na-2H]- 777.18597 277.6
[M]+ 756.21075 253.9
[M]- 756.21185 253.9
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.