Chem
J-GLOBAL ID:200907031745306635
Nikkaji number:J607.486C
21-Hydroxydeflazacort
21-デアセチルデフラザコルト
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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:
C23 H29 NO5
Molecular formula furigana:
C23-H29-N-O5
Molecular weight:
399.487
InChI:
InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1
InChI key:
KENSGCYKTRNIST-RVUAFKSESA-N
SMILES:
CC1=N[C@@]2([C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)O1)C(=O)CO
Systematic name (5):
(16β)-11β,21-ジヒドロキシ-2′-メチルプレグナノ[17,16-d]オキサゾール-1,4-ジエン-3,20-ジオン
(5′β)-11β,21-ジヒドロキシ-2′-メチルプレグナノ[17,16-d]オキサゾール-1,4-ジエン-3,20-ジオン
(5′β)-11β,21-ジヒドロキシ-2′-メチル-1,2,4,5-テトラデヒドロプレグナノ[17,16-d]オキサゾール-3,20-ジオン
(1S,2S,4R,8S,9S,11S,12S,13R)-11-ヒドロキシ-8-(2-ヒドロキシアセチル)-6,9,13-トリメチル-5-オキサ-7-アザペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサ-6,14,17-トリエン-16-オン
(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9 .04,8 .013,18 ]icosa-6,14,17-trien-16-one
Other name (8):
21-ヒドロキシデフラザコルト
21-Hydroxydeflazacort
21-デアセチルデフラザコルト
21-デスアセチルデフラザコルト
21-Desacetyldeflazacort
(5′β)-11β,21-Dihydroxy-2′-methyl-1,2,4,5-tetradehydropregnano[17,16-d]oxazole-3,20-dione
(5′β)-11β,21-Dihydroxy-2′-methylpregnano[17,16-d]oxazole-1,4-diene-3,20-dione
(16β)-11β,21-Dihydroxy-2′-methylpregnano[17,16-d]oxazole-1,4-diene-3,20-dione
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CAS registry number:
13649-57-5
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