Chem
J-GLOBAL ID：200907018230538448   Nikkaji number：J2.403.110A

12-Acetoxy-4,4-dimethylergosta-8,24(28)-diene-2,3,11-triol 3-sulfate

12-アセトキシ-4,4-ジメチルエルゴスタ-8,24(28)-ジエン-2,3,11-トリオール3-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： C32H52O8S
Molecular formula furigana： C32-H52-O8-S
Molecular weight： 596.820
InChI： InChI=1S/C32H52O8S/c1-17(2)18(3)10-11-19(4)22-13-14-23-21-12-15-25-30(6,7)28(40-41(36,37)38)24(34)16-31(25,8)26(21)27(35)29(32(22,23)9)39-20(5)33/h17,19,22-25,27-29,34-35H,3,10-16H2,1-2,4-9H3,(H,36,37,38)/t19-,22-,23+,24?,25?,27?,28?,29?,31+,32-/m1/s1
InChI key： QJFKUMZUKRAOFV-KKQYIFMCSA-N
SMILES： CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(O)C(OC(=O)C)[C@]12C)[C@@]1(C)CC(O)C(OS(=O)(=O)O)C(C)(C)C1CC3
Systematic name  (3)：
  • 12-アセトキシ-4,4-ジメチルエルゴスタ-8,24(28)-ジエン-2,3,11-トリオール3-スルファート
  • [(1R,3aS,9aS,11aR)-11-(アセチルオキシ)-8,10-ジヒドロキシ-6,6,9a,11a-テトラメチル-1-[(2R)-6-メチル-5-メチリデンヘプタン-2-イル]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシダンスルホン酸
  • [(1R,3aS,9aS,11aR)-11-(acetyloxy)-8,10-dihydroxy-6,6,9a,11a-tetramethyl-1-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1H,2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9H,9aH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxidanesulfonic acid
Other name (1)：
  • 12-Acetoxy-4,4-dimethylergosta-8,24(28)-diene-2,3,11-triol 3-sulfate
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