Kirromycin

CAS Registry Number®

50935-71-2
No image available.

CAS Name

Kirromycin

Molecular Formula

C43H60N2O12

Molecular Mass

796.94

Cite this Page

Kirromycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50935-71-2 (retrieved 2024-08-19) (CAS RN: 50935-71-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1

InChIKey

InChIKey=HMSYAPGFKGSXAJ-PAHGNTJYSA-N

SMILES

[C@H](C(NC/C=C/C=C(/[C@H]([C@@H](C)[C@@]1(O[C@H](/C=C/C=C/C=C(/C(=O)C2=C(O)C=CNC2=O)\C)[C@H](O)[C@@H]1O)[H])OC)\C)=O)(CC)[C@@]3(O)O[C@@H](/C=C/C=C\C)C(C)(C)[C@@H](O)[C@H]3O

Canonical SMILES

O=C1NC=CC(O)=C1C(=O)C(=CC=CC=CC2OC(C(O)C2O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C3(O)OC(C=CC=CC)C(C)(C)C(O)C3O)C)C

Other Names for this Substance

  • 2H-Pyran-2-acetamide, N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadien-1-yl]-α-ethyltetrahydro-2,3,4-trihydroxy-5,5-dimethyl-6-(1E,3Z)-1,3-pentadien-1-yl-, (αS,2R,3R,4R,6S)-
  • Mocimycin
  • 2H-Pyran-2-acetamide, N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadienyl]-α-ethyltetrahydro-2,3,4-trihydroxy-5,5-dimethyl-6-[(1E,3Z)-1,3-pentadienyl]-, (αS,2R,3R,4R,6S)-
  • (αS,2R,3R,4R,6S)-N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-Dihydro-4-hydroxy-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrien-1-yl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadien-1-yl]-α-ethyltetrahydro-2,3,4-trihydroxy-5,5-dimethyl-6-(1E,3Z)-1,3-pentadien-1-yl-2H-pyran-2-acetamide
  • Delvomycin

View All

Deleted or Replaced CAS Registry Numbers

11130-56-6, 52212-85-8