CID 139595092

Ns00000779

Structural Information

Molecular Formula
C37H65NO13
SMILES
CCC1C(C(=O)C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)OC)C)C)(C)O
InChI
InChI=1S/C37H65NO13/c1-14-25-37(10,44)30(41)20(4)27(39)18(2)16-36(9,46-13)32(51-34-28(40)24(38-11)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-35(8,45-12)31(42)23(7)48-26/h18-26,28-29,31-32,34,38,40,42,44H,14-17H2,1-13H3
InChIKey
GMIIFWIUNWCTDE-UHFFFAOYSA-N
Compound name
14-ethyl-13-hydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-6-[3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

731.4456 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.452876 261.6
[M+Na]+ 754.434818 266.0
[M-H]- 730.438324 257.4
[M+NH4]+ 749.479423 261.5
[M+K]+ 770.408758 247.3
[M+H-H2O]+ 714.442860 247.6
[M+HCOO]- 776.443801 263.1
[M+CH3COO]- 790.459451 289.8
[M+Na-2H]- 752.420266 289.4
[M]+ 731.44505142 264.4
[M]- 731.44614858 264.4
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.