CID 11526601

Curcumin monoglucoside

Structural Information

Molecular Formula
C27H30O11
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)/C=C(/C=C/C2=CC(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)\O)O
InChI
InChI=1S/C27H30O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-13,23-28,30-34H,14H2,1-2H3/b7-3+,8-4+,18-13-/t23-,24-,25+,26-,27-/m1/s1
InChIKey
UTULZZKBGPPSOF-JBNJIKQZSA-N
Compound name
(1E,4Z,6E)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

530.17883 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.18611 222.6
[M+Na]+ 553.16805 224.3
[M-H]- 529.17155 224.4
[M+NH4]+ 548.21265 222.1
[M+K]+ 569.14199 222.5
[M+H-H2O]+ 513.17609 212.8
[M+HCOO]- 575.17703 229.8
[M+CH3COO]- 589.19268 238.5
[M+Na-2H]- 551.15350 215.5
[M]+ 530.17828 223.9
[M]- 530.17938 223.9
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

patents stripe