Nargenicin

CAS Registry Number®

70695-02-2
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CAS Name

Nargenicin

Molecular Formula

C28H37NO8

Molecular Mass

515.60

Cite this Page

Nargenicin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70695-02-2 (retrieved 2024-04-29) (CAS RN: 70695-02-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H37NO8/c1-13-11-14(2)28-17(12-20(34-5)27(33)35-23(13)16(4)30)8-9-18-21(28)22(31)15(3)24(25(18)37-28)36-26(32)19-7-6-10-29-19/h6-11,13,15-18,20-25,29-31H,12H2,1-5H3/b14-11-/t13-,15-,16-,17-,18-,20+,21+,22-,23+,24-,25-,28+/m1/s1

InChIKey

InChIKey=YEUSSARNQQYBKH-IDPPKLPYSA-N

SMILES

C/C=1/[C@]23[C@]4([C@]([C@@](O2)([C@H](OC(=O)C5=CC=CN5)[C@H](C)[C@H]4O)[H])(C=C[C@@]3(C[C@H](OC)C(=O)O[C@]([C@@H](C)O)([C@H](C)\C1)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1C2OC34C(=CC(C)C(OC(=O)C(OC)CC4C=CC2C3C(O)C1C)C(O)C)C)C5=CC=CN5

Other Names for this Substance

  • 1H-Pyrrole-2-carboxylic acid, (1E,3R,4S,7S,8aS,10aR,11R,12R,13R,14R,14aS,14bS)-3,4,6,7,8,8a,10a,11,12,13,14,14a-dodecahydro-14-hydroxy-4-[(1R)-1-hydroxyethyl]-7-methoxy-1,3,13-trimethyl-6-oxo-11,14b-epoxy-14bH-naphth[2,1-e]oxecin-12-yl ester
  • Nodusmicin, 9-(1H-pyrrole-2-carboxylate)
  • Antibiotic 47444
  • CP 47444
  • Stereoisomer of 3,4,6,7,8,8a,10a,11,12,13,14,14a-dodecahydro-14-hydroxy-4-(1-hydroxyethyl)-7-methoxy-1,3,13-trimethyl-6-oxo-11,14b-epoxy-14bH-naphth[2,1-e]oxecin-12-yl 1H-pyrrole-2-carboxylate

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Deleted or Replaced CAS Registry Numbers

111839-55-5

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