CID 10840796

2''-methoxy-(s)-oleuropein

Structural Information

Molecular Formula
C26H34O14
SMILES
C/C=C/1\[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)CC(=O)OC[C@H](C3=CC(=C(C=C3)O)O)OC
InChI
InChI=1S/C26H34O14/c1-4-13-14(8-20(30)37-11-19(35-2)12-5-6-16(28)17(29)7-12)15(24(34)36-3)10-38-25(13)40-26-23(33)22(32)21(31)18(9-27)39-26/h4-7,10,14,18-19,21-23,25-29,31-33H,8-9,11H2,1-3H3/b13-4+/t14-,18+,19+,21+,22-,23+,25-,26-/m0/s1
InChIKey
YZPLQRBBARLPFK-RUICJLPMSA-N
Compound name
methyl (4S,5E,6S)-4-[2-[(2S)-2-(3,4-dihydroxyphenyl)-2-methoxyethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

570.1949 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.20218 227.7
[M+Na]+ 593.18412 232.0
[M+NH4]+ 588.22872 225.3
[M+K]+ 609.15806 234.7
[M-H]- 569.18762 227.1
[M+Na-2H]- 591.16957 222.5
[M]+ 570.19435 227.1
[M]- 570.19545 227.1
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.