CID 3042757

Funkioside f

Structural Information

Molecular Formula
C50H80O22
SMILES
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9COC(C(C9O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1
InChI
InChI=1S/C50H80O22/c1-20-7-12-50(64-18-20)21(2)32-27(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(61)37(58)41(30(17-53)69-45)70-47-43(71-46-39(60)36(57)33(54)28(15-51)67-46)42(35(56)29(16-52)68-47)66-31-19-63-44(62)38(59)34(31)55/h5,20-21,23-47,51-62H,6-19H2,1-4H3
InChIKey
RVVQXLFEQMOKDT-UHFFFAOYSA-N
Compound name
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(4,5,6-trihydroxyoxan-3-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1032.5142 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1033.5215 313.5
[M+Na]+ 1055.5034 313.5
[M-H]- 1031.5069 308.9
[M+NH4]+ 1050.5480 314.0
[M+K]+ 1071.4774 320.5
[M+H-H2O]+ 1015.5115 315.2
[M+HCOO]- 1077.5124 314.1
[M+CH3COO]- 1091.5281 316.1
[M+Na-2H]- 1053.4889 335.1
[M]+ 1032.5137 315.4
[M]- 1032.5147 315.4
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

No patent data available for this compound.