CID 52915086

Erythromycin, 6-o-methyl-2',4''-bis-o-(trimethylsilyl)-, 9-[o-(1-ethoxy-1-methylethyl)oxime]

Structural Information

Molecular Formula
C49H96N2O14Si2
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC(C)(C)OCC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O[Si](C)(C)C)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O[Si](C)(C)C)(C)OC)C)C)O)(C)O
InChI
InChI=1S/C49H96N2O14Si2/c1-24-36-49(13,54)41(52)31(5)38(50-65-46(9,10)57-25-2)29(3)27-47(11,55-16)42(62-45-40(63-66(18,19)20)35(51(14)15)26-30(4)58-45)32(6)39(33(7)44(53)60-36)61-37-28-48(12,56-17)43(34(8)59-37)64-67(21,22)23/h29-37,39-43,45,52,54H,24-28H2,1-23H3/b50-38+/t29-,30-,31+,32+,33-,34+,35+,36-,37+,39+,40-,41-,42-,43+,45+,47-,48-,49-/m1/s1
InChIKey
SFTHBPKNOPSKEE-CATVDQELSA-N
Compound name
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-10-(2-ethoxypropan-2-yloxyimino)-14-ethyl-12,13-dihydroxy-7-methoxy-4-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-trimethylsilyloxyoxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

992.64 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 993.64728 296.2
[M+Na]+ 1015.6292 302.1
[M-H]- 991.63272 295.8
[M+NH4]+ 1010.6738 297.3
[M+K]+ 1031.6032 278.2
[M+H-H2O]+ 975.63726 280.9
[M+HCOO]- 1037.6382 298.1
[M+CH3COO]- 1051.6539 338.0
[M+Na-2H]- 1013.6147 328.0
[M]+ 992.63945 303.7
[M]- 992.64055 303.7
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

patents stripe