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Substance Name: Cafamycin
RN: 112303-17-0
InChIKey: XINFXFISYDXMAU-JMSKQREWSA-N

Molecular Formula

  • C30-H41-N-O4

Molecular Weight

  • 479.6569
 
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Names and Synonyms

Name of Substance

  • Cafamycin

Synonyms

  • (3aR-(3aalpha,4alpha,5alpha(1E(2R*(R*),5S*,6R*),3E),7abeta))-alpha-Ethyl-6-(1-ethyl-4-(2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-5-methyl-2H-pyran-2-acetic acid
  • alpha-Ethyl-6-(1-ethyl-4-(2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-5-methyl-2H-pyran-2-acetic acid (3aR-(3aalpha,4alpha,5alpha(1E(2R*(R*),5S*,6R*),3E),7abeta))-
  • Caphamycin
  • Kafamycin
  • Kaphamycin

Systematic Name

  • 2H-Pyran-2-acetic acid, alpha-ethyl-6-(1-ethyl-4-(2,3,3a,4,5,7a-hexahydro-4-(1H-pyrrol-2-ylcarbonyl)-1H-inden-5-yl)-1,3-butadienyl)tetrahydro-5-methyl-, (3aR-(3aalpha,4alpha,5alpha(1E(2R*(R*),5S*,6R*),3E),7abeta))-

Registry Numbers

CAS Registry Number

  • 112303-17-0

System Generated Number

  • 0112303170

Structure Descriptors

InChI

1S/C30H41NO4/c1-4-20(29-19(3)14-17-26(35-29)23(5-2)30(33)34)9-6-11-22-16-15-21-10-7-12-24(21)27(22)28(32)25-13-8-18-31-25/h6,8-9,11,13,15-16,18-19,21-24,26-27,29,31H,4-5,7,10,12,14,17H2,1-3H3,(H,33,34)/b11-6+,20-9+/t19-,21-,22-,23+,24+,26?,27+,29+/m0/s1

InChIKey

XINFXFISYDXMAU-JMSKQREWSA-N

Smiles

CC[C@H](C1CC[C@@H]([C@@H](O1)/C(=C/C=C/[C@H]2C=C[C@@H]3CCC[C@H]3[C@@H]2C(=O)c4ccc[nH]4)/CC)C)C(=O)O