CID 9579291

(9s,20s,1r,2r,3r,5r,8r,18r)-2-[(2s,4s,3r,6r)-4-(dimethylamino)-3-hydroxy-6-methyl(2h-3,4,5,6-tetrahydropyran-2-yloxy)]-8-ethyl-9-hydroxy-1,3,5,9,18,20-hexamethyl-19-(2-oxo-1-azapropylidene)-7,11,16-trioxabicyclo[8.6.4]icos-13-ene-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)(OC/C=C/CO2)C)C)C)(C)O
InChI
InChI=1S/C35H58N2O10/c1-12-26-35(9,42)31-21(4)27(36-24(7)38)19(2)18-34(8,44-16-14-13-15-43-31)30(22(5)28(39)23(6)32(41)46-26)47-33-29(40)25(37(10)11)17-20(3)45-33/h13-14,19-23,25-26,29-31,33,40,42H,12,15-18H2,1-11H3/b14-13+,36-27?/t19-,20-,21+,22+,23-,25+,26-,29-,30-,31?,33+,34-,35-/m1/s1
InChIKey
CYOJAGCRFDIUBH-ZZRVQLPYSA-N
Compound name
N-[(2R,3R,6R,8R,9R,10R,13E,17S,19R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2,6,8,10,17,19-hexamethyl-5,7-dioxo-4,11,16-trioxabicyclo[8.6.4]icos-13-en-18-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.4091 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.41638 279.8
[M+Na]+ 689.39832 282.4
[M-H]- 665.40182 275.0
[M+NH4]+ 684.44292 278.9
[M+K]+ 705.37226 262.7
[M+H-H2O]+ 649.40636 260.9
[M+HCOO]- 711.40730 280.0
[M+CH3COO]- 725.42295 279.6
[M+Na-2H]- 687.38377 302.2
[M]+ 666.40855 288.5
[M]- 666.40965 288.5
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.