Chem
J-GLOBAL ID：200907000492348147   Nikkaji number：J2.460.705D

25,26-Dimethylergostane-2,3,6-triol trissulfate

25,26-ジメチルエルゴスタン-2,3,6-トリオールトリススルファート
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： C30H54O12S3
Molecular formula furigana： C30-H54-O12-S3
Molecular weight： 702.930
InChI： InChI=1S/C30H54O12S3/c1-8-28(4,5)19(3)10-9-18(2)21-11-12-22-20-15-25(40-43(31,32)33)24-16-26(41-44(34,35)36)27(42-45(37,38)39)17-30(24,7)23(20)13-14-29(21,22)6/h18-27H,8-17H2,1-7H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)/t18-,19+,20+,21-,22+,23+,24?,25?,26?,27?,29-,30-/m1/s1
InChI key： XUMJIMYIZJLITA-RPNCDCKRSA-N
SMILES： CCC(C)(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(OS(=O)(=O)O)C4CC(OS(=O)(=O)O)C(C[C@]4(C)[C@H]3CC[C@]12C)OS(=O)(=O)O
Systematic name  (3)：
  • 25,26-ジメチルエルゴスタン-2,3,6-トリオールトリススルファート
  • [(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-ジメチル-7,8-ビス(スルホオキシ)-1-[(2R,5S)-5,6,6-トリメチルオクタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-5-イル]オキシダンスルホン酸
  • [(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-7,8-bis(sulfooxy)-1-[(2R,5S)-5,6,6-trimethyloctan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl]oxidanesulfonic acid
Other name (1)：
  • 25,26-Dimethylergostane-2,3,6-triol trissulfate
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