Chem
J-GLOBAL ID：200907096497906463   Nikkaji number：J1.356.521J

Seneganolide

セネガノリド
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： C26H30O8
Molecular formula furigana： C26-H30-O8
Molecular weight： 470.518
InChI： InChI=1S/C26H30O8/c1-22(2)16-8-18(27)32-12-24(16)15-4-6-23(3)17(9-19(28)33-21(23)13-5-7-31-11-13)25(15)10-14(20(22)29)26(24,30)34-25/h5,7,11,14-17,21,30H,4,6,8-10,12H2,1-3H3/t14?,15-,16+,17-,21+,23-,24-,25-,26+/m1/s1
InChI key： VIOKSDWKSSMHBF-ROQYJRGZSA-N
SMILES： CC1(C)[C@@H]2CC(=O)OC[C@]32[C@H]2CC[C@]4(C)[C@@H](CC(=O)O[C@H]4c4ccoc4)[C@]42CC(C1=O)[C@]3(O)O4
Systematic name  (3)：
  • (13α,17aα)-1,19-ジヒドロキシ-1α,8α:21,23-ジエポキシ-2,8-メタノ-4,4-ジメチル-3,16-ジオキソ-D-ホモ-24-ノル-17-オキサ-7,8-セコ-5α-コラ-20,22-ジエン-7-酸7,19-ラクトン
  • (1S,2R,6R,7R,10R,11S,16S,20S)-6-(フラン-3-イル)-20-ヒドロキシ-7,17,17-トリメチル-5,13,21-トリオキサヘキサシクロ[17.2.1.01,10.02,7.011,16.011,20]ドコサン-4,14,18-トリオン
  • (1S,2R,6R,7R,10R,11S,16S,20S)-6-(furan-3-yl)-20-hydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.01,10.02,7.011,16.011,20]docosane-4,14,18-trione
Other name (3)：
  • (13α,17aα)-1,19-Dihydroxy-1α,8α:21,23-diepoxy-2,8-methano-4,4-dimethyl-3,16-dioxo-D-homo-24-nor-17-oxa-7,8-seco-5α-chola-20,22-diene-7-oic acid 7,19-lactone
  • セネガノリド
  • Seneganolide
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