Methyl 9-[[2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]nonanoate
CAS Registry Number®
359436-87-6
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CAS Name
Methyl 9-[[2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]nonanoateMolecular Formula
C39H58N2O16Molecular Mass
810.88Cite this Page
Methyl 9-[[2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]nonanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=359436-87-6 (retrieved ) (CAS RN: 359436-87-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C39H58N2O16/c1-23(43)40-32-36(52-21-28-16-12-11-13-17-28)34(29(20-42)55-38(32)50-19-15-10-8-7-9-14-18-31(48)49-6)57-39-33(41-24(2)44)37(54-27(5)47)35(53-26(4)46)30(56-39)22-51-25(3)45/h11-13,16-17,29-30,32-39,42H,7-10,14-15,18-22H2,1-6H3,(H,40,43)(H,41,44)/t29-,30-,32-,33-,34-,35-,36-,37-,38-,39+/m1/s1
InChIKey
InChIKey=PGFXJMPZFBARGQ-FIRVRKSFSA-N
SMILES
O([C@H]1[C@H](OCC2=CC=CC=C2)[C@@H](NC(C)=O)[C@H](OCCCCCCCCC(OC)=O)O[C@@H]1CO)[C@H]3[C@H](NC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3
Canonical SMILES
O=C(OCC1OC(OC2C(OC(OCCCCCCCCC(=O)OC)C(NC(=O)C)C2OCC=3C=CC=CC3)CO)C(NC(=O)C)C(OC(=O)C)C1OC(=O)C)C
Other Names for this Substance
- Nonanoic acid, 9-[[2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]-, methyl ester
- Methyl 9-[[2-(acetylamino)-2-deoxy-3-O-(phenylmethyl)-4-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-β-D-glucopyranosyl]oxy]nonanoate