Chem
J-GLOBAL ID：200907034073134694   Nikkaji number：J55.639D

Ekeberin C1

エケベリンC1
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： C26H32O6
Molecular formula furigana： C26-H32-O6
Molecular weight： 440.536
InChI： InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-16,19-20H,6-7,9-10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
InChI key： HUKMOJLAHVSCJE-OASIGRBWSA-N
SMILES： CC1(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)c3ccoc3)[C@@]2(C)CCC1=O
Systematic name  (6)：
  • (13α,17aα)-14β,15β:21,23-ジエポキシ-4,4,8-トリメチル-17-オキサ-D-ホモ-24-ノル-5α-コラ-20,22-ジエン-3,7,16-トリオン
  • (13α,17aα)-14β,15β:21,23-ジエポキシ-4,4,8-トリメチル-D-ホモ-24-ノル-17-オキサ-5α-コラ-20,22-ジエン-3,7,16-トリオン
  • (13α,17aα)-4,4,8-トリメチル-14β,15β:21,23-ジエポキシ-D-ホモ-24-ノル-17-オキサ-5α-コラ-20,22-ジエン-3,7,16-トリオン
  • (17S)-14,15β:16,17-ジエポキシ-16,17-セコメリアカン-3,7,16-トリオン
  • (1R,2R,4S,7S,8S,11R,12S,17R)-7-(フラン-3-イル)-1,8,12,16,16-ペンタメチル-3,6-ジオキサペンタシクロ[9.8.0.02,4.02,8.012,17]ノナデカン-5,15,19-トリオン
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Other name (8)：
  • 7-オキソジヒドロゲズニン
  • 7-Oxodihydrogedunin
  • (13α,17aα)-14β,15β:21,23-Diepoxy-4,4,8-trimethyl-17-oxa-D-homo-24-nor-5α-chola-20,22-diene-3,7,16-trione
  • (13α,17aα)-14β,15β:21,23-Diepoxy-4,4,8-trimethyl-D-homo-24-nor-17-oxa-5α-chola-20,22-diene-3,7,16-trione
  • (13α,17aα)-4,4,8-Trimethyl-14β,15β:21,23-diepoxy-D-homo-24-nor-17-oxa-5α-chola-20,22-diene-3,7,16-trione
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CAS registry number： 10584-64-2
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