CID 511034

Refchem:727168

Structural Information

Molecular Formula
C32H41NO11
SMILES
C[C@H]1C[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)COC(=O)C)OC(=O)C)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C32H41NO11/c1-19-15-25(39-16-23-11-7-5-8-12-23)29(40-17-24-13-9-6-10-14-24)32(41-19)44-30-27(33-20(2)34)31(37)43-26(18-38-21(3)35)28(30)42-22(4)36/h5-14,19,25-32,37H,15-18H2,1-4H3,(H,33,34)/t19-,25+,26+,27+,28+,29+,30-,31?,32-/m0/s1
InChIKey
XSQQICVHPZOUIP-ZEQPTOHJSA-N
Compound name
[(2R,3S,4S,5R)-5-acetamido-3-acetyloxy-6-hydroxy-4-[(2S,3R,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

615.26794 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.27522 245.7
[M+Na]+ 638.25716 243.4
[M-H]- 614.26066 255.8
[M+NH4]+ 633.30176 242.2
[M+K]+ 654.23110 246.9
[M+H-H2O]+ 598.26520 233.1
[M+HCOO]- 660.26614 254.5
[M+CH3COO]- 674.28179 265.5
[M+Na-2H]- 636.24261 238.9
[M]+ 615.26739 250.0
[M]- 615.26849 250.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.