Chem
J-GLOBAL ID：200907040493402953   Nikkaji number：J890.593B

Vignaticol

ビグナチコール
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： C20H32O6
Molecular formula furigana： C20-H32-O6
Molecular weight： 368.470
InChI： InChI=1S/C20H32O6/c1-10(2)17(22)9-18(23)14(4)8-19(24)15(17,5)20(18,25)13(26-19)12-11(3)6-7-16(12,14)21/h10-13,21-25H,6-9H2,1-5H3/t11-,12+,13-,14+,15-,16-,17+,18-,19+,20-/m1/s1
InChI key： VBKHTSMCQKCAJR-ZWLJUCRDSA-N
SMILES： CC(C)[C@@]1(O)C[C@]2(O)[C@@]3(O)[C@@H]4O[C@@](O)(C[C@@]2(C)[C@@]2(O)CC[C@@H](C)[C@@H]42)[C@@]13C
Systematic name  (5)：
  • (2S)-2,2a,3,4,7,8,8aα,8bα-オクタヒドロ-3-イソプロピル-2aα,5,8β-トリメチル-2,5β-メタノ-5H-s-インダセノ[8,1-bc]フラン-2α,3α,4aα,5aα,8cα(6H)-ペンタオール
  • (2S,2aS,3S,4aR,5S,5aR,8R,8aS,8bR,8cS)-2,2a,3,4,7,8,8a,8b-オクタヒドロ-3-イソプロピル-2a,5,8-トリメチル-2,5-メタノ-5H-s-インダセノ[8,1-bc]フラン-2,3,4a,5a,8c(6H)-ペンタオール
  • (2S,2aS,3S,4aR,5S,5aR,8R,8aS,8bR,8cS)-2,2a,3,4,4a,5a,6,7,8,8a,8b,8c-ドデカヒドロ-3-イソプロピル-2a,5,8-トリメチル-2,5-メタノ-5H-s-インダセノ[8,1-bc]フラン-2,3,4a,5a,8c-ペンタオール
  • (1R,2S,3R,6R,7S,9S,10S,11S,13R,14S)-3,7,10-トリメチル-11-(プロパン-2-イル)-15-オキサペンタシクロ[7.5.1.02,6.07,13.010,14]ペンタデカン-6,9,11,13,14-ペンタオール
  • (1R,2S,3R,6R,7S,9S,10S,11S,13R,14S)-3,7,10-trimethyl-11-(propan-2-yl)-15-oxapentacyclo[7.5.1.02,6.07,13.010,14]pentadecane-6,9,11,13,14-pentol
Other name (5)：
  • ビグナチコール
  • Vignaticol
  • (2S,2aS,3S,4aR,5S,5aR,8R,8aS,8bR,8cS)-2,2a,3,4,7,8,8a,8b-Octahydro-3-isopropyl-2a,5,8-trimethyl-2,5-methano-5H-s-indaceno[8,1-bc]furan-2,3,4a,5a,8c(6H)-pentaol
  • (2S)-2,2a,3,4,7,8,8aα,8bα-Octahydro-3-isopropyl-2aα,5,8β-trimethyl-2,5β-methano-5H-s-indaceno[8,1-bc]furan-2α,3α,4aα,5aα,8cα(6H)-pentaol
  • (2S,2aS,3S,4aR,5S,5aR,8R,8aS,8bR,8cS)-2,2a,3,4,4a,5a,6,7,8,8a,8b,8c-Dodecahydro-3-isopropyl-2a,5,8-trimethyl-2,5-methano-5H-s-indaceno[8,1-bc]furan-2,3,4a,5a,8c-pentaol
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