Chem
J-GLOBAL ID:200907017788215266   Nikkaji number:J1.378.575I

Salignarine B

サリグナリンB
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: C28H46N2O2
Molecular formula furigana: C28-H46-N2-O2
Molecular weight: 442.688
InChI: InChI=1S/C28H46N2O2/c1-8-17(2)26(32)29-24-15-19-9-10-20-22-12-11-21(18(3)30(6)7)27(22,4)14-13-23(20)28(19,5)16-25(24)31/h8-9,18,20-25,31H,10-16H2,1-7H3,(H,29,32)/b17-8+/t18-,20-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChI key: VHUUFOJKTGMUTC-SYDZCELUSA-N
SMILES: C/C=C(\C)/C(=O)N[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1O
Systematic name  (3):
  • (E)-N-[(20S)-2β-ヒドロキシ-20-(ジメチルアミノ)プレグナ-5-エン-3β-イル]-2-メチル-2-ブテンアミド
  • (2E)-N-[(1S,3aS,3bS,7R,8S,9aR,9bS,11aS)-1-[(1S)-1-(ジメチルアミノ)エチル]-8-ヒドロキシ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]-2-メチルブタ-2-エンアミド
  • (2E)-N-[(1S,3aS,3bS,7R,8S,9aR,9bS,11aS)-1-[(1S)-1-(dimethylamino)ethyl]-8-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]-2-methylbut-2-enamide
Other name (3):
  • (E)-N-[(20S)-2β-Hydroxy-20-(dimethylamino)pregna-5-ene-3β-yl]-2-methyl-2-butenamide
  • サリグナリンB
  • Salignarine B
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