Chem
J-GLOBAL ID：200907018108163123   Nikkaji number：J2.635.250I

Ansaetherone

アンサエテロン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H33NO7
Molecular formula furigana： C26-H33-N-O7
Molecular weight： 471.550
InChI： InChI=1S/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9+,16-6?/t13?,14-,15-,20-,21+,23-,24+/m1/s1
InChI key： JSYTVJCZLSFGTM-ACOUGHOTSA-N
SMILES： CC=C1/C=C(\C)/[C@H]2Oc3c(NC(=O)C(C)C1=O)cc(O)cc3[C@@H](O[C@H]1CC[C@@H](O)[C@@H](C)O1)[C@@H]2C
Systematic name  (3)：
  • (2S,3R,4S,5E)-7-エチリデン-14-ヒドロキシ-2-(2,3,6-トリデオキシ-β-D-threo-ヘキソピラノシルオキシ)-3,5,9-トリメチル-4,16-エポキシ-11-アザビシクロ[10.3.1]ヘキサデカ-1(15),5,12(16),13-テトラエン-8,10-ジオン
  • (7E,9S,10R,11S)-6-エチリデン-14-ヒドロキシ-11-{[(2R,5R,6R)-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4,8,10-トリメチル-17-オキサ-2-アザトリシクロ[7.6.2.012,16]ヘプタデカ-1(16),7,12,14-テトラエン-3,5-ジオン
  • (7E,9S,10R,11S)-6-ethylidene-14-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy}-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(16),7,12,14-tetraene-3,5-dione
Other name (3)：
  • (2S,3R,4S,5E)-7-Ethylidene-14-hydroxy-2-(2,3,6-trideoxy-β-D-threo-hexopyranosyloxy)-3,5,9-trimethyl-4,16-epoxy-11-azabicyclo[10.3.1]hexadeca-1(15),5,12(16),13-tetraene-8,10-dione
  • アンサエテロン
  • Ansaetherone
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