CID 45358884

119665-62-2

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)OC2C[C@@]([C@H]([C@@H](O2)C)O[Si](C)(C)C)(C)OC)C)OC3[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-JNZBUZBNSA-N
Compound name
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(3S,4R,6S)-4-(dimethylamino)-6-methyl-3-trimethylsilyloxyoxan-2-yl]oxy-10-(2-ethoxypropan-2-yloxyimino)-14-ethyl-12,13-dihydroxy-7-methoxy-4-[(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 297.5
[M+Na]+ 1015.6292 295.1
[M+NH4]+ 1010.6738 296.0
[M+K]+ 1031.6032 298.5
[M-H]- 991.63272 289.9
[M+Na-2H]- 1013.6147 313.6
[M]+ 992.63945 294.8
[M]- 992.64055 294.8
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.