Clorobiocin

CAS Registry Number®

39868-96-7

CAS Name

Clorobiocin

Molecular Formula

C35H37ClN2O11

Molecular Mass

697.13

Cite this Page

Clorobiocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39868-96-7 (retrieved 2024-11-24) (CAS RN: 39868-96-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29+,30-,34-/m1/s1

InChIKey

InChIKey=FJAQNRBDVKIIKK-LFLQOBSNSA-N

SMILES

OC=1C=2C(=C(Cl)C(O[C@H]3[C@H](O)[C@H](OC(=O)C=4NC(C)=CC4)[C@@H](OC)C(C)(C)O3)=CC2)OC(=O)C1NC(=O)C5=CC(CC=C(C)C)=C(O)C=C5

Canonical SMILES

O=C1OC=2C(Cl)=C(OC3OC(C)(C)C(OC)C(OC(=O)C4=CC=C(N4)C)C3O)C=CC2C(O)=C1NC(=O)C5=CC=C(O)C(=C5)CC=C(C)C

Other Names for this Substance

  • Benzamide, N-[8-chloro-7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-
  • 1H-Pyrrole-2-carboxylic acid, 5-methyl-, 3′-ester with N-[8-chloro-7-[(6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)benzamide
  • Benzamide, N-[8-chloro-7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)-
  • N-[8-Chloro-7-[[6-deoxy-5-C-methyl-4-O-methyl-3-O-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide
  • RP 18631

View All

Deleted or Replaced CAS Registry Numbers

9037-72-3, 26637-98-9, 34628-96-1, 36631-40-0, 69343-32-4

CAS INSIGHTSTM
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