Chem
J-GLOBAL ID:200907001449381234
Nikkaji number:J574.331A
2-[[4-[(4-Hydroxy-4-oxobutyl)carbamoyl]phenyl]azo]-3-hydroxy-1,3,5(10)-estratrien-17-one
2-[[4-[(4-ヒドロキシ-4-オキソブチル)カルバモイル]フェニル]アゾ]-3-ヒドロキシ-1,3,5(10)-エストラトリエン-17-オン
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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:
C29 H33 N3 O5
Molecular formula furigana:
C29-H33-N3-O5
Molecular weight:
503.599
InChI:
InChI=1S/C29H33N3O5/c1-29-13-12-20-21(23(29)10-11-26(29)34)9-6-18-15-25(33)24(16-22(18)20)32-31-19-7-4-17(5-8-19)28(37)30-14-2-3-27(35)36/h4-5,7-8,15-16,20-21,23,33H,2-3,6,9-14H2,1H3,(H,30,37)(H,35,36)/t20-,21+,23-,29-/m0/s1
InChI key:
FBRDSYXQUGATJV-DTENNIBZSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)N=Nc3ccc(cc3)C(=O)NCCCC(=O)O)[C@@H]1CCC2=O
Systematic name (3):
2-[[4-[(4-ヒドロキシ-4-オキソブチル)カルバモイル]フェニル]アゾ]-3-ヒドロキシ-1,3,5(10)-エストラトリエン-17-オン
4-[(4-{2-[(3aS,3bR,9bS,11aS)-7-ヒドロキシ-11a-メチル-1-オキソ-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-8-イル]ジアゼン-1-イル}フェニル)ホルムアミド]ブタン酸
4-[(4-{2-[(3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]diazen-1-yl}phenyl)formamido]butanoic acid
Other name (1):
2-[[4-[(4-Hydroxy-4-oxobutyl)carbamoyl]phenyl]azo]-3-hydroxy-1,3,5(10)-estratrien-17-one
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