Wilforgine

CAS Registry Number®

37239-47-7
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CAS Name

Wilforgine

Molecular Formula

C41H47NO19

Molecular Mass

857.81

Cite this Page

Wilforgine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=37239-47-7 (retrieved 2024-05-06) (CAS RN: 37239-47-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    211 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19-,28+,29+,30-,31?,32-,33+,34-,38-,39-,40+,41-/m0/s1

InChIKey

InChIKey=QFIYSPKZWOALMZ-VESOVIEISA-N

SMILES

C(OC(C)=O)[C@]12[C@@]34C(OC(C)=O)[C@]([C@@](C)(O3)COC(=O)C=5C(CC[C@H](C)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(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,18S,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-21-hydroxy-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)-, (8α)-
  • Wilforgine
  • Wilforgin

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