Chem
J-GLOBAL ID：200907034378357880   Nikkaji number：J1.494.315C

2b′β,5a′α-Dihydro-3′,5′-dioxaspiro[5α-androstane-3,4′-[4H]dibenzo[c,g]cyclopenta[l]phenanthrene]-17-one

2b′β,5a′α-ジヒドロ-3′,5′-ジオキサスピロ[5α-アンドロスタン-3,4′-[4H]ジベンゾ[c,g]シクロペンタ[l]フェナントレン]-17-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： C41H42O3
Molecular formula furigana： C41-H42-O3
Molecular weight： 582.784
InChI： InChI=1S/C41H42O3/c1-39-21-22-41(23-26(39)13-16-29-32-17-18-34(42)40(32,2)20-19-33(29)39)43-37-30-14-11-24-7-3-5-9-27(24)35(30)36-28-10-6-4-8-25(28)12-15-31(36)38(37)44-41/h3-12,14-15,26,29,32-33,37-38H,13,16-23H2,1-2H3/t26-,29-,32-,33-,37-,38-,39-,40-/m0/s1
InChI key： GUJVVLWVTYKBNU-YQIFCOPOSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC5(CC[C@]34C)O[C@@H]3[C@@H](O5)c4ccc5ccccc5c4c4c3ccc3ccccc43)[C@@H]1CCC2=O
Systematic name  (3)：
  • 2b′β,5a′α-ジヒドロ-3′,5′-ジオキサスピロ[5α-アンドロスタン-3,4′-[4H]ジベンゾ[c,g]シクロペンタ[l]フェナントレン]-17-オン
  • (3aS,3bR,5aS,9aS,9bS,11aS,12'S,16'S)-9a,11a-ジメチル-1,2,3,3a,3b,4,5,5a,6,8,9,9a,9b,10,11,11a-ヘキサデカヒドロ-13',15'-ジオキサスピロ[シクロペンタ[a]フェナントレン-7,14'-ヘキサシクロ[15.8.0.02,11.03,8.012,16.020,25]ペンタコサン]-1'(25'),2',4',6',8',10',17',19',21',23'-デカエン-1-オン
  • (3aS,3bR,5aS,9aS,9bS,11aS,12'S,16'S)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9a,9b,10,11,11a-hexadecahydro-13',15'-dioxaspiro[cyclopenta[a]phenanthrene-7,14'-hexacyclo[15.8.0.02,11.03,8.012,16.020,25]pentacosane]-1'(25'),2',4',6',8',10',17',19',21',23'-decaen-1-one
Other name (1)：
  • 2b′β,5a′α-Dihydro-3′,5′-dioxaspiro[5α-androstane-3,4′-[4H]dibenzo[c,g]cyclopenta[l]phenanthrene]-17-one
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