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Substance Name: Ergokonin C
RN: 139471-01-5
InChIKey: YYOVEXZGHBXNOO-FLBCEDPUSA-N

Note

  • From Tolypocladium inflatum.

Molecular Formula

  • C32-H49-N-O6

Molecular Weight

  • 543.74
 
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Names and Synonyms

Name of Substance

  • Ergokonin C

Systematic Name

  • Ergosta-8(14),22-dien-18-oic acid, 3-(2-amino-2-methyl-1-oxopropoxy)-5,6-epoxy-7-hydroxy-, (3beta,5alpha,6alpha,7beta,22E)-

Registry Numbers

CAS Registry Number

  • 139471-01-5

System Generated Number

  • 0139471015

Structure Descriptors

InChI

1S/C32H49NO6/c1-17(2)18(3)8-9-19(4)21-10-11-23-24-22(13-15-31(21,23)27(35)36)30(7)14-12-20(38-28(37)29(5,6)33)16-32(30)26(39-32)25(24)34/h8-9,17-22,25-26,34H,10-16,33H2,1-7H3,(H,35,36)/b9-8+/t18-,19+,20-,21-,22-,25+,26+,30+,31-,32+/m0/s1

InChIKey

YYOVEXZGHBXNOO-FLBCEDPUSA-N

Smiles

C1[C@@H](C[C@@]23[C@H]([C@@H](C4=C5CC[C@H]([C@@H](\C=C\[C@H](C)C(C)C)C)[C@@]5(C(=O)O)CC[C@H]4[C@@]2(C1)C)O)O3)OC(C(C)(C)N)=O