Concanamycin A

CAS Registry Number®

80890-47-7
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CAS Name

Concanamycin A

Molecular Formula

C46H75NO14

Molecular Mass

866.09

Cite this Page

Concanamycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=80890-47-7 (retrieved 2024-05-06) (CAS RN: 80890-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    179-180 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C46H75NO14/c1-13-16-34-28(7)37(58-38-22-33(48)43(31(10)57-38)60-45(47)53)23-46(54,61-34)30(9)41(51)29(8)42-35(55-11)18-15-17-24(3)19-26(5)39(49)32(14-2)40(50)27(6)20-25(4)21-36(56-12)44(52)59-42/h13,15-18,20-21,26-35,37-43,48-51,54H,14,19,22-23H2,1-12H3,(H2,47,53)/b16-13+,18-15+,24-17+,25-20-,36-21-/t26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,46-/m1/s1

InChIKey

InChIKey=DJZCTUVALDDONK-RGZNQSKGSA-N

SMILES

[C@@H]([C@@H]([C@H](C)[C@@]1([C@@H](OC)/C=C/C=C(\C)/C[C@@H](C)[C@H](O)[C@H](CC)[C@H](O)[C@H](C)\C=C(\C)/C=C(\OC)/C(=O)O1)[H])O)(C)[C@@]2(O)C[C@@H](O[C@H]3C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O3)[C@H](C)[C@@H](/C=C/C)O2

Canonical SMILES

O=C(OC1C(O)CC(OC1C)OC2CC(O)(OC(C=CC)C2C)C(C)C(O)C(C)C3OC(=O)C(OC)=CC(=CC(C)C(O)C(CC)C(O)C(C)CC(=CC=CC3OC)C)C)N

Other Names for this Substance

  • Oxacyclooctadeca-3,5,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[[4-O-(aminocarbonyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propen-1-yl-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-
  • Concanamycin A
  • Oxacyclooctadeca-3,5,13,15-tetraen-2-one, 18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[[4-O-(aminocarbonyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propenyl-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-, (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-
  • Oxacyclooctadecane, concanamycin A deriv.
  • (3Z,5E,7R,8R,9S,10S,11R,13E,15E,17S,18R)-18-[(1S,2R,3S)-3-[(2R,4R,5S,6R)-4-[[4-O-(Aminocarbonyl)-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propen-1-yl-2H-pyran-2-yl]-2-hydroxy-1-methylbutyl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyloxacyclooctadeca-3,5,13,15-tetraen-2-one

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Deleted or Replaced CAS Registry Numbers

66771-59-3, 1348979-01-0

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