CID 131752567

Capsianoside vi

Structural Information

Molecular Formula
C44H74O20
SMILES
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(C(OC(C3O)OC/C(=C/CC/C(=C\CC/C(=C/CCC(C)(C=C)OC4C(C(C(C(O4)CO)O)O)O)/C)/C)/C)C)O)O)O)O)O)O)O
InChI
InChI=1S/C44H74O20/c1-8-44(7,64-43-37(55)33(51)30(48)26(18-45)61-43)17-11-16-22(3)13-9-12-21(2)14-10-15-23(4)19-57-41-38(56)39(29(47)25(6)60-41)63-42-36(54)34(52)31(49)27(62-42)20-58-40-35(53)32(50)28(46)24(5)59-40/h8,12,15-16,24-43,45-56H,1,9-11,13-14,17-20H2,2-7H3/b21-12-,22-16+,23-15+
InChIKey
WZQKUYVRQLGXCB-PRMGPUFCSA-N
Compound name
2-[[6-[3,5-dihydroxy-2-methyl-6-[(2E,6Z,10E)-2,6,10,14-tetramethyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadeca-2,6,10,15-tetraenoxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

922.47736 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 923.48464 286.4
[M+Na]+ 945.46658 286.2
[M+NH4]+ 940.51118 286.5
[M+K]+ 961.44052 290.7
[M-H]- 921.47008 280.2
[M+Na-2H]- 943.45203 308.5
[M]+ 922.47681 285.1
[M]- 922.47791 285.1
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.