CID 9579290

(2r,3r,6r,8r,9r,10r,16s,17e,18r)-9-[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-2-hydroxy-17-(methoxymethoxyimino)-2,6,8,10,16,18-hexamethyl-13-methylene-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione

Structural Information

Molecular Formula
C35H60N2O11
SMILES
CC[C@@H]1[C@@](C2[C@H](/C(=N/OCOC)/[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/C35H60N2O11/c1-13-26-35(9,41)31-22(5)27(36-45-18-42-12)20(3)15-34(8,44-17-19(2)16-43-31)30(23(6)28(38)24(7)32(40)47-26)48-33-29(39)25(37(10)11)14-21(4)46-33/h20-26,29-31,33,39,41H,2,13-18H2,1,3-12H3/b36-27+/t20-,21-,22+,23+,24-,25+,26-,29-,30-,31?,33+,34-,35-/m1/s1
InChIKey
GPDYCUQLHDLPCO-FQYVRPIESA-N
Compound name
(2R,3R,6R,8R,9R,10R,16S,17E,18R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-17-(methoxymethoxyimino)-2,6,8,10,16,18-hexamethyl-13-methylidene-4,11,15-trioxabicyclo[8.5.4]nonadecane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

684.41974 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 685.42702 279.2
[M+Na]+ 707.40896 281.3
[M-H]- 683.41246 273.2
[M+NH4]+ 702.45356 277.8
[M+K]+ 723.38290 262.1
[M+H-H2O]+ 667.41700 261.7
[M+HCOO]- 729.41794 278.9
[M+CH3COO]- 743.43359 284.3
[M+Na-2H]- 705.39441 301.6
[M]+ 684.41919 284.1
[M]- 684.42029 284.1
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.