Chem
J-GLOBAL ID：200907000478240007   Nikkaji number：J615.965F

(16β)-6β,11β,21-Trihydroxy-2′-methylpregnano[17,16-d]oxazole-1,4-diene-3,20-dione

(16β)-6β,11β,21-トリヒドロキシ-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
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： C23H29NO6
Molecular formula furigana： C23-H29-N-O6
Molecular weight： 415.486
InChI： InChI=1S/C23H29NO6/c1-11-24-23(18(29)10-25)19(30-11)8-14-13-7-16(27)15-6-12(26)4-5-21(15,2)20(13)17(28)9-22(14,23)3/h4-6,13-14,16-17,19-20,25,27-28H,7-10H2,1-3H3/t13-,14-,16+,17-,19+,20+,21-,22-,23+/m0/s1
InChI key： GUUSJROCWMOQNZ-WBMHGXHJSA-N
SMILES： CC1=N[C@@]2([C@@H](C[C@H]3[C@@H]4C[C@@H](O)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)O1)C(=O)CO
Systematic name  (3)：
  • (16β)-6β,11β,21-トリヒドロキシ-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
  • (1S,2S,4R,8S,9S,11S,12S,13R,19R)-11,19-ジヒドロキシ-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,19R)-11,19-dihydroxy-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 (1)：
  • (16β)-6β,11β,21-Trihydroxy-2′-methylpregnano[17,16-d]oxazole-1,4-diene-3,20-dione
CAS registry number： 72099-45-7
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