Wilfortrine

CAS Registry Number®

37239-48-8
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CAS Name

Wilfortrine

Molecular Formula

C41H47NO20

Molecular Mass

873.81

Cite this Page

Wilfortrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=37239-48-8 (retrieved 2024-04-27) (CAS RN: 37239-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237.5-238.0 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30-,31+,32-,33+,37-,38+,39+,40-,41+/m1/s1

InChIKey

InChIKey=JOKOHWLSQAZHFX-DQZYHKMLSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]34[C@H](OC(C)=O)[C@]([C@@](C)(O3)COC(=O)C=5C(CC[C@@](C)(O)C(=O)O[C@]([C@]4(C)O)([C@H](OC(=O)C=6C=COC6)[C@@H]1OC(C)=O)[H])=NC=CC5)([C@@H](OC(C)=O)[C@H]2OC(C)=O)[H]

Canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(OC(=O)C)C(OC(=O)C)C4(COC(=O)C)C(OC(=O)C)C(OC(=O)C5=COC=C5)C(OC(=O)C(O)(C)CCC6=NC=CC=C16)C3(O)C)C

Other Names for this Substance

  • 3-Furancarboxylic acid, (8R,9R,10R,11S,12R,13R,14R,15S,18R,21S,22S,23R)-10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,17,18,19,20-dodecahydro-18,21-dihydroxy-8,18,21-trimethyl-5,17-dioxo-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridin-14-yl ester
  • Evonimine, 8-(acetyloxy)-O2-deacetyl-8-deoxo-O2-(3-furanylcarbonyl)-26-hydroxy-, (8α)-
  • Wilfortrine
  • Wilfortrin

Deleted or Replaced CAS Registry Numbers

262599-09-7

CAS INSIGHTSTM
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