Chem
J-GLOBAL ID：200907025175001096   Nikkaji number：J40.704F

75Se-Scintadren

75Se-シンタドレン
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： C28H48O[75Se]
Molecular formula furigana： C28-H48-O-SE
Molecular weight： 475.614
InChI： InChI=1S/C28H48OSe/c1-18(2)7-6-8-19(3)26-11-12-27-25-15-20(17-30-5)24-16-21(29)9-10-22(24)23(25)13-14-28(26,27)4/h18-21,23,25-27,29H,6-17H2,1-5H3/t19-,20+,21+,23-,25-,26-,27+,28-/m1/s1/i30-4
InChI key： AEVGUKVBCBHBNF-MJMUOCKJSA-N
SMILES： C[75Se]C[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2C2=C1C[C@@H](O)CC2
Systematic name  (3)：
  • 6β-[メチル(75Se)セレノメチル]-19-ノルコレスタ-5(10)-エン-3β-オール
  • (1R,3aS,3bS,5R,7S,9bS,11aR)-11a-メチル-5-{[メチル(75Se)セラニル]メチル}-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オール
  • (1R,3aS,3bS,5R,7S,9bS,11aR)-11a-methyl-5-{[methyl(75Se)selanyl]methyl}-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,5H,6H,7H,8H,9H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (3)：
  • 75Se-シンタドレン
  • 75Se-Scintadren
  • 6β-[Methyl(75Se)selenomethyl]-19-norcholest-5(10)-en-3β-ol
CAS registry number： 63795-61-9
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