Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-9,12-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylate

CAS Registry Number®

126643-38-7
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CAS Name

Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-9,12-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylate

Molecular Formula

C30H27N3O6

Molecular Mass

525.55

Cite this Page

Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-9,12-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=126643-38-7 (retrieved 2024-05-02) (CAS RN: 126643-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H27N3O6/c1-4-11-38-15-9-10-19-17(12-15)23-24-18(14-31-27(24)34)22-16-7-5-6-8-20(16)33-26(22)25(23)32(19)21-13-30(36,28(35)37-3)29(33,2)39-21/h5-10,12,21,36H,4,11,13-14H2,1-3H3,(H,31,34)/t21-,29+,30+/m1/s1

InChIKey

InChIKey=ZZWAFVPZTZSAEM-RIGQTMPJSA-N

SMILES

C[C@]12N3C=4C5=C(C=6C(N5[C@](O1)(C[C@@]2(C(OC)=O)O)[H])=CC=C(OCCC)C6)C7=C(C4C=8C3=CC=CC8)CNC7=O

Canonical SMILES

O=C(OC)C1(O)CC2OC1(N3C4=CC=CC=C4C5=C3C6=C(C7=CC(OCCC)=CC=C7N62)C=8C(=O)NCC85)C

Other Names for this Substance

  • 9,12-Epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-, methyl ester, (9S,10R,12R)-
  • 9,12-Epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylic acid, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-, methyl ester, [9S-(9α,10β,12α)]-
  • Methyl (9S,10R,12R)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-16-propoxy-9,12-epoxy-1H-diindolo[1,2,3-fg:3′,2′,1′-kl]pyrrolo[3,4-i][1,6]benzodiazocine-10-carboxylate
  • KT 5926
  • Antibiotic KT 5926

Deleted or Replaced CAS Registry Numbers

118735-78-7

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