Chem
J-GLOBAL ID：200907008606415428   Nikkaji number：J617.651H

Samaderine Y

サマデリンY
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： C20H26O7
Molecular formula furigana： C20-H26-O7
Molecular weight： 378.421
InChI： InChI=1S/C20H26O7/c1-8-4-10(21)16(24)18(2)9(8)5-12-20-7-26-19(3,11(20)6-13(22)27-12)17(25)14(23)15(18)20/h4,9,11-12,14-17,23-25H,5-7H2,1-3H3/t9-,11-,12+,14+,15+,16+,17-,18-,19-,20+/m0/s1
InChI key： RIJRPXOHKGHZPR-SEAJDPHJSA-N
SMILES： CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
Systematic name  (3)：
  • 13,20-エポキシ-1β,11β,12α-トリヒドロキシピクラサ-3-エン-2,16-ジオン
  • (1R,2R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-トリヒドロキシ-9,13,17-トリメチル-5,18-ジオキサペンタシクロ[12.5.0.01,6.02,17.08,13]ノナデカ-9-エン-4,11-ジオン
  • (1R,2R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-trihydroxy-9,13,17-trimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
Other name (5)：
  • アイランクアッシンB
  • Ailanquassin B
  • 13,20-Epoxy-1β,11β,12α-trihydroxypicras-3-ene-2,16-dione
  • サマデリンY
  • Samaderine Y
CAS registry number： 159903-53-4
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