Chem
J-GLOBAL ID：200907028829424870   Nikkaji number：J221.797J

Cinncassiol E

シンカッシオールE
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： C20H30O8
Molecular formula furigana： C20-H30-O8
Molecular weight： 398.452
InChI： InChI=1S/C20H30O8/c1-9(2)14-8-16(22)12(4)11(14)18(24)13(5,27-14)19(16,25)20(26,28-18)17(23)10(3)6-7-15(12,17)21/h9-11,21-26H,6-8H2,1-5H3/t10-,11+,12+,13-,14+,15+,16-,17+,18+,19-,20-/m1/s1
InChI key： KFWCNRCQYZWAFT-PQZXUYIJSA-N
SMILES： CC(C)[C@@]12C[C@@]3(O)[C@@]4(C)[C@@H]1[C@]1(O)O[C@](O)([C@]5(O)[C@H](C)CC[C@]45O)[C@@]3(O)[C@]1(C)O2
Systematic name  (3)：
  • [2S,10S]-4,5,8,9-テトラヒドロ-2aα,6α,9β-トリメチル-4α-(1-メチルエチル)-2β,4β,6β-メテノ-2H-シクロペンタ[g]フロ[2,3,4-ij][2]ベンゾピラン-2α,5aα,6aα,9aα,9bα,9cα(2aH,6H,7H)-ヘキサオール
  • (1S,2S,3S,4S,7R,8S,9R,10S,11R,13S,15S)-3,7,15-トリメチル-13-(プロパン-2-イル)-14,16-ジオキサヘキサシクロ[7.6.1.02,13.03,11.04,8.010,15]ヘキサデカン-1,4,8,9,10,11-ヘキサオール
  • (1S,2S,3S,4S,7R,8S,9R,10S,11R,13S,15S)-3,7,15-trimethyl-13-(propan-2-yl)-14,16-dioxahexacyclo[7.6.1.02,13.03,11.04,8.010,15]hexadecane-1,4,8,9,10,11-hexol
Other name (3)：
  • シンカッシオールE
  • Cinncassiol E
  • [2S,10S]-4,5,8,9-Tetrahydro-2aα,6α,9β-trimethyl-4α-(1-methylethyl)-2β,4β,6β-metheno-2H-cyclopenta[g]furo[2,3,4-ij][2]benzopyran-2α,5aα,6aα,9aα,9bα,9cα(2aH,6H,7H)-hexol
CAS registry number： 98751-76-9
KEGG COMPOUND： C17659
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