Aurodox

CAS Registry Number®

12704-90-4
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CAS Name

Aurodox

Molecular Formula

C44H62N2O12

Molecular Mass

810.97

Cite this Page

Aurodox.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=12704-90-4 (retrieved 2024-04-28) (CAS RN: 12704-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H62N2O12/c1-10-12-14-22-32-43(6,7)39(51)40(52)44(55,58-32)29(11-2)41(53)45-24-18-17-20-27(4)37(56-9)28(5)38-36(50)35(49)31(57-38)21-16-13-15-19-26(3)34(48)33-30(47)23-25-46(8)42(33)54/h10,12-23,25,28-29,31-32,35-40,47,49-52,55H,11,24H2,1-9H3,(H,45,53)/b12-10-,15-13+,18-17+,21-16+,22-14+,26-19+,27-20+/t28-,29-,31-,32+,35+,36+,37-,38+,39+,40-,44-/m1/s1

InChIKey

InChIKey=NTAHMPNXQOYXSX-WKSONYIQSA-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)C=2C(=O)N(C)C=CC2O)\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=C(C(=CC=CC=CC1OC(C(O)C1O)C(C)C(OC)C(=CC=CCNC(=O)C(CC)C2(O)OC(C=CC=CC)C(C)(C)C(O)C2O)C)C)C=3C(=O)N(C=CC3O)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-1-methyl-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, 1-methyl-
  • 2H-Pyran-2-acetamide, N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-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-1-methyl-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
  • Antibiotic X 5108

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Deleted or Replaced CAS Registry Numbers

12766-31-3, 39282-80-9, 51022-72-1

CAS INSIGHTSTM
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