Chem
J-GLOBAL ID：200907063326776078   Nikkaji number：J1.338.925J

(-)-Erinacine B

(-)-エリナシンB
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： C25H36O6
Molecular formula furigana： C25-H36-O6
Molecular weight： 432.557
InChI： InChI=1S/C25H36O6/c1-13(2)15-7-8-24(3)9-10-25(4)16(18(15)24)6-5-14(11-26)20-22(25)31-23-21(30-20)19(28)17(27)12-29-23/h5,11,13,16-17,19-23,27-28H,6-10,12H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,24-,25-/m1/s1
InChI key： BEECYWPPXWUPIT-ZCKYJUNOSA-N
SMILES： CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@@H](O)[C@H](O)CO[C@H]5O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1
Systematic name  (4)：
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β,7α-(β-D-キシロピラノース-1-O,2-O-ジイル)-2,3,3a,4,5,5a,6,7,10,10aβ-デカヒドロシクロヘプタ[e]インデン-8-カルボアルデヒド
  • (3aR)-1-イソプロピル-3aβ,5aα-ジメチル-6β,7α-[[(2S)-4β,5α-ジヒドロキシテトラヒドロ-2H-ピラン-2β,3α-ジイル]ビス(オキシ)]-2,3,3a,4,5,5a,6,7,10,10aβ-デカヒドロシクロヘプタ[e]インデン-8-カルボアルデヒド
  • (1R,2R,5R,10R,14R,16R,17S,18R,21S)-17,18-ジヒドロキシ-2,5-ジメチル-8-(プロパン-2-イル)-15,20,22-トリオキサペンタシクロ[12.8.0.02,10.05,9.016,21]ドコサ-8,12-ジエン-13-カルバルデヒド
  • (1R,2R,5R,10R,14R,16R,17S,18R,21S)-17,18-dihydroxy-2,5-dimethyl-8-(propan-2-yl)-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-13-carbaldehyde
Other name (6)：
  • (3aR)-1-Isopropyl-3aβ,5aα-dimethyl-6β,7α-(β-D-xylopyranose-1-O,2-O-diyl)-2,3,3a,4,5,5a,6,7,10,10aβ-decahydrocyclohepta[e]indene-8-carbaldehyde
  • エリナシンB
  • Erinacine B
  • (-)-エリナシンB
  • (-)-Erinacine B
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