Chem
J-GLOBAL ID:200907016737920236   Nikkaji number:J780.633G

Erinacine A

エリナシンA
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/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3/t18-,19+,21+,22-,23+,24-,25-/m1/s1
InChI key: LPPCHLAEVDUIIW-NLLUTMDRSA-N
SMILES: CC(C)C1=C2C3=CC=C(C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1)C=O
Systematic name  (5):
  • (3aR)-2,3,3a,4,5,5a,6,7-オクタヒドロ-6β-(β-D-キシロピラノシルオキシ)-3aβ,5aα-ジメチル-1-イソプロピルシクロヘプタ[e]インデン-8-カルボアルデヒド
  • (3aR)-6β-(β-D-キシロピラノシルオキシ)-1-イソプロピル-3aβ,5aα-ジメチル-2,3,3a,4,5,5a,6,7-オクタ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-8-ホルミル-2,3,3a,4,5,5a,6,7-オクタヒドロシクロヘプタ[e]インデン-6β-イル]β-D-キシロピラノシド
  • (3aR,5aR,6S)-3a,5a-ジメチル-1-(プロパン-2-イル)-6-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-2H,3H,3aH,4H,5H,5aH,6H,7H-シクロヘプタ[e]インデン-8-カルバルデヒド
  • (3aR,5aR,6S)-3a,5a-dimethyl-1-(propan-2-yl)-6-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,3aH,4H,5H,5aH,6H,7H-cyclohepta[e]indene-8-carbaldehyde
Other name (9):
  • エリナシンA
  • Erinacine A
  • (3aR)-2,3,3a,4,5,5a,6,7-Octahydro-6β-(β-D-xylopyranosyloxy)-3aβ,5aα-dimethyl-1-isopropylcyclohept[e]indene-8-carbaldehyde
  • (3aR)-6β-(β-D-Xylopyranosyloxy)-1-isopropyl-3aβ,5aα-dimethyl-2,3,3a,4,5,5a,6,7-octahydrocyclohepta[e]indene-8-carbaldehyde
  • (+)-Erinacine A
Show all
CAS registry number: 156101-08-5
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