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Ergokonin C
[CAS# 139471-01-5]

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CAS#: 139471-01-5
Product: Ergokonin C
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Identification
Name Ergokonin C
Synonyms 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)-
Molecular Structure CAS#: 139471-01-5, Ergokonin C
Molecular Formula C32H49NO6
Molecular Weight 543.74
CAS Registry Number 139471-01-5
SMILES [C@@]145O[C@@H]1[C@H](O)C3=C2[C@@]([C@@H](CC2)[C@@H](\C=C\[C@@H](C(C)C)C)C)(CC[C@@H]3[C@]4(CC[C@H](OC(=O)C(N)(C)C)C5)C)C(=O)O
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
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