Wilfordine

CAS Registry Number®

37239-51-3
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CAS Name

Wilfordine

Molecular Formula

C43H49NO19

Molecular Mass

883.84

Cite this Page

Wilfordine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=37239-51-3 (retrieved 2024-05-02) (CAS RN: 37239-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C43H49NO19/c1-21(45)55-20-42-34(59-24(4)48)30(57-22(2)46)29-32(58-23(3)47)43(42)41(8,54)33(31(35(42)60-25(5)49)61-36(50)26-13-10-9-11-14-26)62-38(52)39(6,53)17-16-28-27(15-12-18-44-28)37(51)56-19-40(29,7)63-43/h9-15,18,29-35,53-54H,16-17,19-20H2,1-8H3/t29-,30-,31+,32?,33+,34-,35+,39-,40+,41+,42-,43+/m1/s1

InChIKey

InChIKey=XQDBHSNYTFRCNJ-FRHHWUQZSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]34C(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)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(O)(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-18,21-dihydroxy-8,18,21-trimethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,21S,22S,23R)-
  • Wilfordine
  • Evonimine, 8-(acetyloxy)-O2-benzoyl-O2-deacetyl-8-deoxo-26-hydroxy-, (8α)-
  • (8R,9R,10R,11S,12S,13R,14R,15S,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-18,21-dihydroxy-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
  • Wilfordin

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