Chem
J-GLOBAL ID：200907068373534360   Nikkaji number：J1.620.197I

2-Hydroxyseneganolide

2-ヒドロキシセネガノリド
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： C26H30O9
Molecular formula furigana： C26-H30-O9
Molecular weight： 486.517
InChI： InChI=1S/C26H30O9/c1-21(2)15-8-17(27)33-12-23(15)14-4-6-22(3)16(9-18(28)34-19(22)13-5-7-32-10-13)24(14)11-25(30,20(21)29)26(23,31)35-24/h5,7,10,14-16,19,30-31H,4,6,8-9,11-12H2,1-3H3/t14-,15+,16-,19+,22-,23-,24-,25?,26-/m1/s1
InChI key： KZFPZDFHHOUZCZ-FGUWIFBCSA-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(O)(C1=O)[C@]3(O)O4
Systematic name  (3)：
  • (13α,17aα)-1,2,19-トリヒドロキシ-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,20R)-6-(フラン-3-イル)-19,20-ジヒドロキシ-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,20R)-6-(furan-3-yl)-19,20-dihydroxy-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)-1,2,19-Trihydroxy-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
  • 2-ヒドロキシセネガノリド
  • 2-Hydroxyseneganolide
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