CID 15755769

Okanin 4-methyl ether 4'-(6''-acetylglucoside)

Structural Information

Molecular Formula
C24H26O12
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)O)O)O)O)O)O
InChI
InChI=1S/C24H26O12/c1-11(25)34-10-18-21(30)22(31)23(32)24(36-18)35-17-8-5-13(19(28)20(17)29)14(26)6-3-12-4-7-16(33-2)15(27)9-12/h3-9,18,21-24,27-32H,10H2,1-2H3/b6-3+/t18-,21-,22+,23-,24-/m1/s1
InChIKey
UXSYWTOYZVPKHE-OXXGOWNMSA-N
Compound name
[(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.14243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.14971 212.6
[M+Na]+ 529.13165 215.6
[M-H]- 505.13515 215.3
[M+NH4]+ 524.17625 213.2
[M+K]+ 545.10559 216.1
[M+H-H2O]+ 489.13969 203.1
[M+HCOO]- 551.14063 220.6
[M+CH3COO]- 565.15628 235.3
[M+Na-2H]- 527.11710 206.6
[M]+ 506.14188 215.6
[M]- 506.14298 215.6
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.