Chem
J-GLOBAL ID：200907055381144169   Nikkaji number：J739.932D

Caesaldekarin d

カエサルデカリンd
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： C22H32O5
Molecular formula furigana： C22-H32-O5
Molecular weight： 376.493
InChI： InChI=1S/C22H32O5/c1-12-14-7-9-26-17(14)11-16-15(12)10-19(27-13(2)23)22(25)20(3,4)8-6-18(24)21(16,22)5/h7,9,12,15-16,18-19,24-25H,6,8,10-11H2,1-5H3/t12-,15-,16-,18-,19+,21-,22+/m0/s1
InChI key： YJFHKXMTSBXFEN-JCRJRGEQSA-N
SMILES： C[C@@H]1[C@@H]2C[C@@H](OC(=O)C)[C@@]3(O)C(C)(C)CC[C@H](O)[C@]3(C)[C@H]2Cc2occc12
Systematic name  (3)：
  • (1S)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-ドデカヒドロ-5α-アセトキシ-4,4,7β,11bα-テトラメチルフェナントロ[3,2-b]フラン-1β,4aβ-ジオール
  • (1S,4aR,5R,6aS,7R,11aS,11bS)-1,4a-ジヒドロキシ-4,4,7,11b-テトラメチル-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,11H,11aH,11bH-フェナントロ[3,2-b]フラン-5-イル アセタート
  • (1S,4aR,5R,6aS,7R,11aS,11bS)-1,4a-dihydroxy-4,4,7,11b-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,11H,11aH,11bH-phenanthro[3,2-b]furan-5-yl acetate
Other name (3)：
  • カエサルデカリンd
  • Caesaldekarin d
  • (1S)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-Dodecahydro-5α-acetoxy-4,4,7β,11bα-tetramethylphenanthro[3,2-b]furan-1β,4aβ-diol
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