Chem
J-GLOBAL ID:200907011654616797   Nikkaji number:J1.855.043A

[3,16α,17β-Trihydroxyestra-1,3,5(10)-triene-6-ylideneaminooxy]acetic acid

[3,16α,17β-トリヒドロキシエストラ-1,3,5(10)-トリエン-6-イリデンアミノオキシ]酢酸
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: C20H25NO6
Molecular formula furigana: C20-H25-N-O6
Molecular weight: 375.421
InChI: InChI=1S/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/t12-,13-,15+,17-,19+,20+/m1/s1
InChI key: HXNCOPXZMVYOSZ-JQXHPQJXSA-N
SMILES: C[C@]12CC[C@H]3[C@@H](CC(=NOCC(=O)O)c4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
Systematic name  (3):
  • [3,16α,17β-トリヒドロキシエストラ-1,3,5(10)-トリエン-6-イリデンアミノオキシ]酢酸
  • 2-({[(1R,2R,3aS,3bR,9bS,11aS)-1,2,7-トリヒドロキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-イリデン]アミノ}オキシ)酢酸
  • 2-({[(1R,2R,3aS,3bR,9bS,11aS)-1,2,7-trihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-ylidene]amino}oxy)acetic acid
Other name (1):
  • [3,16α,17β-Trihydroxyestra-1,3,5(10)-triene-6-ylideneaminooxy]acetic acid
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