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Substance Name: Wilfoside K 1N
RN: 100802-91-3
InChIKey: WXYGKQHQSYONAN-ZCXUNETKSA-N

Molecular Formula

  • C58-H86-O19

Molecular Weight

  • 1087.3
 
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Names and Synonyms

Results Name

  • Wilfoside K 1N

Synonym

  • Wilfoside K 1N

Systematic Name

  • Pregn-5-en-20-one, 3-((O-2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-methyl-alpha-L-lyxo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy)-8,14,17-trihydroxy-12-(((2E)-1-oxo-3-phenyl-2-propenyl)oxy)-, (3beta,12beta,14beta,17alpha)-

Registry Numbers

CAS Registry Number

  • 100802-91-3

System Generated Number

  • 0100802913

Structure Descriptors

InChI

1S/C58H86O19/c1-31-50(61)39(65-8)26-47(69-31)75-52-33(3)71-49(28-41(52)67-10)77-53-34(4)72-48(29-42(53)68-11)76-51-32(2)70-46(27-40(51)66-9)73-38-20-21-54(6)37(25-38)19-22-57(63)43(54)30-44(74-45(60)18-17-36-15-13-12-14-16-36)55(7)56(62,35(5)59)23-24-58(55,57)64/h12-19,31-34,38-44,46-53,61-64H,20-30H2,1-11H3/b18-17-

InChIKey

WXYGKQHQSYONAN-ZCXUNETKSA-N

Smiles

c1(ccccc1)\C=C/C(O[C@@H]1[C@@]2([C@@]([C@@]3(CC=C4C[C@@H](CC[C@@]4([C@@H]3C1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](C)O1)O[C@@H]1C[C@@H]([C@@H](O[C@@H]3C[C@@H](OC)[C@@H](O[C@@H]4C[C@@H]([C@@H]([C@@H](O4)C)O)OC)[C@@H](C)O3)[C@@H](O1)C)OC)OC)O)(CC[C@@]2(C(C)=O)O)O)C)=O