Chem
J-GLOBAL ID:200907049602352454   Nikkaji number:J114.612B

17,21-[(Butylboranediyl)bisoxy]pregn-4-ene-3,11,20-trione

17,21-[(ブチルボランジイル)ビスオキシ]プレグナ-4-エン-3,11,20-トリオン
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: C25H35BO5
Molecular formula furigana: C25-H35-B-O5
Molecular weight: 426.360
InChI: InChI=1S/C25H35BO5/c1-4-5-12-26-30-15-21(29)25(31-26)11-9-19-18-7-6-16-13-17(27)8-10-23(16,2)22(18)20(28)14-24(19,25)3/h13,18-19,22H,4-12,14-15H2,1-3H3/t18-,19-,22+,23-,24-,25-/m0/s1
InChI key: KXIXGGSVULKMIL-AHLAAXOLSA-N
SMILES: CCCCB1OCC(=O)[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]23C)O1
Systematic name  (3):
  • 17,21-[(ブチルボランジイル)ビスオキシ]プレグナ-4-エン-3,11,20-トリオン
  • (1R,3aS,3bS,9aR,9bS,11aS)-6'-ブチル-9a,11a-ジメチル-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-テトラデカヒドロスピロ[シクロペンタ[a]フェナントレン-1,2'-[1,5,6]ジオキサボリナン]-3',7,10-トリオン
  • (1R,3aS,3bS,9aR,9bS,11aS)-6'-butyl-9a,11a-dimethyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,5,6]dioxaborinane]-3',7,10-trione
Other name (1):
  • 17,21-[(Butylboranediyl)bisoxy]pregn-4-ene-3,11,20-trione
CAS registry number: 30888-64-3
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