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]nonanoate

Molecular Formula

C39H58N2O16

Molecular Mass

810.88

Cite 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 2024-08-16) (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