Chem
J-GLOBAL ID：200907045125444656   Nikkaji number：J2.378.267G

(2aR,4aβ)-Decahydro-2aα,7aβ-dihydroxy-6α-(benzoyloxymethyl)-3β,6,7bα-trimethyl-4H-cyclobuta[e]indene-4-one

(2aR,4aβ)-デカヒドロ-2aα,7aβ-ジヒドロキシ-6α-(ベンゾイルオキシメチル)-3β,6,7bα-トリメチル-4H-シクロブタ[e]インデン-4-オン
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： C22H28O5
Molecular formula furigana： C22-H28-O5
Molecular weight： 372.461
InChI： InChI=1S/C22H28O5/c1-14-17(23)16-11-19(2,13-27-18(24)15-7-5-4-6-8-15)12-22(16,26)20(3)9-10-21(14,20)25/h4-8,14,16,25-26H,9-13H2,1-3H3/t14-,16-,19-,20-,21+,22+/m0/s1
InChI key： RYHPIKFNXYBADO-XQUMOHSGSA-N
SMILES： C[C@H]1C(=O)[C@@H]2C[C@](C)(COC(=O)c3ccccc3)C[C@]2(O)[C@@]2(C)CC[C@@]12O
Systematic name  (3)：
  • (2aR,4aβ)-デカヒドロ-2aα,7aβ-ジヒドロキシ-6α-(ベンゾイルオキシメチル)-3β,6,7bα-トリメチル-4H-シクロブタ[e]インデン-4-オン
  • [(2aR,3R,4aR,6S,7aR,7bS)-2a,7a-ジヒドロキシ-3,6,7b-トリメチル-4-オキソ-デカヒドロ-1H-シクロブタ[e]インデン-6-イル]メチル ベンゾアート
  • [(2aR,3R,4aR,6S,7aR,7bS)-2a,7a-dihydroxy-3,6,7b-trimethyl-4-oxo-decahydro-1H-cyclobuta[e]inden-6-yl]methyl benzoate
Other name (1)：
  • (2aR,4aβ)-Decahydro-2aα,7aβ-dihydroxy-6α-(benzoyloxymethyl)-3β,6,7bα-trimethyl-4H-cyclobuta[e]indene-4-one
Thsaurus map：
Thesaurus Map

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