Celesticetin

CAS Registry Number®

2520-21-0
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CAS Name

Celesticetin

Molecular Formula

C24H36N2O9S

Molecular Mass

528.62

Cite this Page

Celesticetin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2520-21-0 (retrieved 2024-05-16) (CAS RN: 2520-21-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)

InChIKey

InChIKey=VMSQKUCYEMOKMM-UHFFFAOYSA-N

SMILES

C(NC(=O)C1CCCN1C)(C(OC)C)C2OC(SCCOC(=O)C3=C(O)C=CC=C3)C(O)C(O)C2O

Canonical SMILES

O=C(OCCSC1OC(C(O)C(O)C1O)C(NC(=O)C2N(C)CCC2)C(OC)C)C=3C=CC=CC3O

Other Names for this Substance

  • D-erythro-α-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-
  • D-erythro-D-galacto-Octopyranoside, 2-hydroxyethyl 6,8-dideoxy-7-O-methyl-6-(1-methyl-L-2-pyrrolidinecarboxamido)-1-thio-, monosalicylate (ester), α-
  • D-erythro-α-D-galacto-Octopyranoside, 2-[(2-hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[(1-methyl-2-pyrrolidinyl)carbonyl]amino]-1-thio-, (S)-
  • Celesticetin
  • 2-[(2-Hydroxybenzoyl)oxy]ethyl 6,8-dideoxy-7-O-methyl-6-[[[(2S)-1-methyl-2-pyrrolidinyl]carbonyl]amino]-1-thio-D-erythro-α-D-galacto-octopyranoside

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Deleted or Replaced CAS Registry Numbers

5460-13-9, 11027-24-0, 31326-72-4

CAS INSIGHTSTM
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