Wilfornine A

CAS Registry Number®

345954-00-9

CAS Name

Wilfornine A

Molecular Formula

C45H51NO20

Molecular Mass

925.88

Cite this Page

Wilfornine A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=345954-00-9 (retrieved 2024-11-24) (CAS RN: 345954-00-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H51NO20/c1-22(47)57-21-44-36(62-26(5)51)32(59-23(2)48)31-34(61-25(4)50)45(44)43(9,56)35(33(60-24(3)49)37(44)63-27(6)52)64-40(55)41(7,65-38(53)28-14-11-10-12-15-28)18-17-30-29(16-13-19-46-30)39(54)58-20-42(31,8)66-45/h10-16,19,31-37,56H,17-18,20-21H2,1-9H3/t31-,32-,33+,34-,35+,36-,37+,41?,42+,43+,44-,45+/m1/s1

InChIKey

InChIKey=YJDNHPICMWQYIV-UJSRMDARSA-N

SMILES

C(OC(C)=O)[C@]12[C@@]34[C@H](OC(C)=O)[C@]([C@@](C)(O3)COC(=O)C=5C(CCC(OC(=O)C6=CC=CC=C6)(C)C(=O)O[C@]([C@]4(C)O)([C@H](OC(C)=O)[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)C(OC(=O)C(OC(=O)C=5C=CC=CC5)(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, 10,13,14,22,23-pentakis(acetyloxy)-12-[(acetyloxy)methyl]-18-(benzoyloxy)-7,8,9,10,12,13,14,15,19,20-decahydro-21-hydroxy-8,18,21-trimethyl-, (8R,9R,10R,11S,12R,13R,14R,15S,21S,22S,23R)-
  • Wilfornine A

CAS INSIGHTSTM
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