Wilforine

CAS Registry Number®

11088-09-8
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CAS Name

Wilforine

Molecular Formula

C43H49NO18

Molecular Mass

867.85

Cite this Page

Wilforine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=11088-09-8 (retrieved 2024-04-29) (CAS RN: 11088-09-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158-163 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C43H49NO18/c1-21-16-17-29-28(15-12-18-44-29)39(52)55-19-40(7)30-31(56-23(3)46)35(58-25(5)48)42(20-54-22(2)45)36(59-26(6)49)32(60-38(51)27-13-10-9-11-14-27)34(61-37(21)50)41(8,53)43(42,62-40)33(30)57-24(4)47/h9-15,18,21,30-36,53H,16-17,19-20H2,1-8H3/t21-,30+,31+,32-,33+,34-,35+,36-,40-,41-,42+,43-/m0/s1

InChIKey

InChIKey=ZOCKGJZEUVPPPI-QSNSFFMXSA-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@H](C)C(=O)O[C@]([C@]4(C)O)([C@H](OC(=O)C6=CC=CC=C6)[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)C=5C=CC=CC5)C(OC(=O)C(C)CCC6=NC=CC=C16)C3(O)C)C

Other Names for this Substance

  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione, 10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-
  • Wilforine
  • Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-, (8α)-
  • (8R,9R,10R,11S,12S,13R,14R,15S,18S,21S,22S,23R)-10,13,22,23-Tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-8,11-epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione
  • 8,11-Epoxy-9,12-ethano-11,15-methano-5H,11H-[1,9]dioxacyclooctadecino[4,3-b]pyridine-5,17(18H)-dione, 10,13,22,23-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-14-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-, [8R-(8R*,9R*,10R*,11S*,12S*,13R*,14R*,15S*,18S*,21S*,22S*,23R*)]-

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