CID 83982

59202-91-4

Structural Information

Molecular Formula
C38H65NO14
SMILES
CCC1C2(C(C(C3(C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)O)C)OC(=O)O2)C
InChI
InChI=1S/C38H65NO14/c1-14-25-37(10)31(51-34(43)52-37)22(6)38(44)18(2)16-36(9,53-38)30(50-33-27(40)24(39(11)12)15-19(3)46-33)20(4)28(21(5)32(42)48-25)49-26-17-35(8,45-13)29(41)23(7)47-26/h18-31,33,40-41,44H,14-17H2,1-13H3
InChIKey
HALVHMJXUYBVTQ-UHFFFAOYSA-N
Compound name
14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

759.4405 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.44778 260.5
[M+Na]+ 782.42972 257.3
[M+NH4]+ 777.47432 258.2
[M+K]+ 798.40366 265.1
[M-H]- 758.43322 251.8
[M+Na-2H]- 780.41517 271.2
[M]+ 759.43995 256.6
[M]- 759.44105 256.6
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.