CID 510353

(9s,19s,1r,2r,3r,5r,8r,17r)-2-[(2s,4s,3r,6r)-4-(dimethylamino)-3-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yloxy)]-8-ethyl-9-hydroxy-1,3,5,9,17,19-hexamethyl-13-methylene-18-(2-oxo-1-azapropylidene)-7,11,15-trioxabicyclo[8.5.4]nonadecane-4,6-dione

Structural Information

Molecular Formula
C35H58N2O10
SMILES
CC[C@@H]1[C@@](C2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OCC(=C)CO2)C)C)C)(C)O
InChI
InChI=1S/C35H58N2O10/c1-13-26-35(10,42)31-21(5)27(36-24(8)38)19(3)15-34(9,44-17-18(2)16-43-31)30(22(6)28(39)23(7)32(41)46-26)47-33-29(40)25(37(11)12)14-20(4)45-33/h19-23,25-26,29-31,33,40,42H,2,13-17H2,1,3-12H3/t19-,20-,21+,22+,23-,25+,26-,29-,30-,31?,33+,34-,35-/m1/s1
InChIKey
UGOYVRBIVJUZRV-HPERDABESA-N
Compound name
N-[(2R,3R,6R,8R,9R,10R,16S,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-13-methylidene-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.4091 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.41638 277.4
[M+Na]+ 689.39832 279.6
[M-H]- 665.40182 272.4
[M+NH4]+ 684.44292 276.4
[M+K]+ 705.37226 260.1
[M+H-H2O]+ 649.40636 259.5
[M+HCOO]- 711.40730 277.6
[M+CH3COO]- 725.42295 282.0
[M+Na-2H]- 687.38377 300.6
[M]+ 666.40855 285.2
[M]- 666.40965 285.2
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.