Chem
J-GLOBAL ID:200907000346044497   Nikkaji number:J615.959A

(16β,20R)-11β,20,21-Trihydroxy-2′-methyl-pregnano[17,16-d]oxazole-1,4-dien-3-one

(16β,20R)-11β,20,21-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-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: C23H31NO5
Molecular formula furigana: C23-H31-N-O5
Molecular weight: 401.503
InChI: InChI=1S/C23H31NO5/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/h6-8,15-20,25,27-28H,4-5,9-11H2,1-3H3/t15-,16-,17-,18-,19+,20+,21-,22-,23+/m0/s1
InChI key: LXJBQYDRJNFDNT-AVDZUFHISA-N
SMILES: CC1=N[C@]2([C@@H](O)CO)[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
Systematic name  (3):
  • (16β,20R)-11β,20,21-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-オン
  • (1S,2S,4R,8R,9S,11S,12S,13R)-8-[(1R)-1,2-ジヒドロキシエチル]-11-ヒドロキシ-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,8R,9S,11S,12S,13R)-8-[(1R)-1,2-dihydroxyethyl]-11-hydroxy-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,20R)-11β,20,21-Trihydroxy-2′-methyl-pregnano[17,16-d]oxazole-1,4-dien-3-one
CAS registry number: 87539-47-7
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