Chem
J-GLOBAL ID：200907033332079749   Nikkaji number：J18.685F

Cinncassiol A

シンカッシオール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： C20H30O7
Molecular formula furigana： C20-H30-O7
Molecular weight： 382.453
InChI： InChI=1S/C20H30O7/c1-10-5-6-17(24)16(4)8-14(22)27-20(17,15(10)23)19(26)12(3)13(11(2)9-21)7-18(16,19)25/h10-11,15,21,23-26H,5-9H2,1-4H3
InChI key： WIFHAKQJYHVTQK-UHFFFAOYSA-N
SMILES： CC(CO)C1=C(C)C2(O)C(O)(C1)C1(C)CC(=O)OC32C(O)C(C)CCC13O
Systematic name  (3)：
  • 3a,4,5,6,7,7a,8,8a-オクタヒドロ-3a,4,7a,8a-テトラヒドロキシ-2-(2-ヒドロキシ-1-メチルエチル)-3,5,8-トリメチル-3b,8-(エポキシエタノ)-1H-シクロペンタ[a]インデン-10-オン
  • 2,6,8,12-テトラヒドロキシ-4-(1-ヒドロキシプロパン-2-イル)-3,7,11-トリメチル-13-オキサテトラシクロ[5.5.3.01,8.02,6]ペンタデカ-3-エン-14-オン
  • 2,6,8,12-tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
Other name (3)：
  • シンカッシオールA
  • Cinncassiol A
  • 3a,4,5,6,7,7a,8,8a-Octahydro-3a,4,7a,8a-tetrahydroxy-2-(2-hydroxy-1-methylethyl)-3,5,8-trimethyl-3b,8-(epoxyethano)-1H-cyclopent[a]inden-10-one
CAS registry number： 73599-11-8
KEGG COMPOUND： C17645
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