Chem
J-GLOBAL ID：200907097868815713   Nikkaji number：J742.188E

Caesaldekarin b

カエサルデカリンb
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： C20H30O3
Molecular formula furigana： C20-H30-O3
Molecular weight： 318.457
InChI： InChI=1S/C20H30O3/c1-12-13-6-9-23-16(13)11-15-14(12)10-17(21)20(22)18(2,3)7-5-8-19(15,20)4/h6,9,12,14-15,17,21-22H,5,7-8,10-11H2,1-4H3/t12-,14-,15-,17+,19+,20+/m0/s1
InChI key： VVTANXRWACJOPI-GMLOIOGESA-N
SMILES： C[C@@H]1[C@@H]2C[C@@H](O)[C@@]3(O)C(C)(C)CCC[C@]3(C)[C@H]2Cc2occc12
Systematic name  (3)：
  • (5R)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-ドデカヒドロ-4,4,7β,11bα-テトラメチルフェナントロ[3,2-b]フラン-4aβ,5α-ジオール
  • (4aR,5R,6aS,7R,11aS,11bR)-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-4a,5-ジオール
  • (4aR,5R,6aS,7R,11aS,11bR)-4,4,7,11b-tetramethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,7H,11H,11aH,11bH-phenanthro[3,2-b]furan-4a,5-diol
Other name (3)：
  • カエサルデカリンb
  • Caesaldekarin b
  • (5R)-1,2,3,4,4a,5,6,6aα,7,11,11aβ,11b-Dodecahydro-4,4,7β,11bα-tetramethylphenanthro[3,2-b]furan-4aβ,5α-diol
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