Pederin

CAS Registry Number®

27973-72-4
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CAS Name

Pederin

Molecular Formula

C25H45NO9

Molecular Mass

503.63

Cite this Page

Pederin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=27973-72-4 (retrieved 2024-04-27) (CAS RN: 27973-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1

InChIKey

InChIKey=ZNEZZONMADKYTB-VRCUBXEUSA-N

SMILES

[C@H](C(N[C@@H](OC)[C@]1(O[C@H](C[C@@H](COC)OC)C(C)(C)[C@H](O)C1)[H])=O)(O)[C@@]2(OC)CC(=C)[C@@H](C)[C@@H](C)O2

Canonical SMILES

O=C(NC(OC)C1OC(CC(OC)COC)C(C)(C)C(O)C1)C(O)C2(OC)OC(C)C(C(=C)C2)C

Other Names for this Substance

  • D-manno-Nonitol, 2,6-anhydro-3,5,7-trideoxy-1-C-[[(2S)-2-hydroxy-2-[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-5,5-dimethyl-1,8,9-tri-O-methyl-, (1S)-
  • 2H-Pyran-2-glycolamide, N-[[6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2H-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-
  • Pederine
  • D-manno-Nonitol, 2,6-anhydro-3,5,7-trideoxy-1-C-[[hydroxy(tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl)acetyl]amino]-5,5-dimethyl-1,8,9-tri-O-methyl-, [2R-[2α,2[S*(S*)],5β,6β]]-
  • D-manno-Nonitol, 2,6-anhydro-3,5,7-trideoxy-1-C-[[(2S)-hydroxy[(2R,5R,6R)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2H-pyran-2-yl]acetyl]amino]-5,5-dimethyl-1,8,9-tri-O-methyl-, (1S)-

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Deleted or Replaced CAS Registry Numbers

4326-66-3, 7207-53-6, 24017-83-2

CAS INSIGHTSTM
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