Chem
J-GLOBAL ID:200907015128217352
Nikkaji number:J297.803B
21-(Acetyloxy)-6α-fluoro-11β-hydroxy-16α,17-[(1-methylethylidene)bisoxy]pregna-1,4-diene-3,20-dione
21-(アセチルオキシ)-6α-フルオロ-11β-ヒドロキシ-16α,17-[(1-メチルエチリデン)ビスオキシ]プレグナ-1,4-ジエン-3,20-ジオン
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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:
C26 H33 FO7
Molecular formula furigana:
C26-H33-F-O7
Molecular weight:
476.541
InChI:
InChI=1S/C26H33FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h6-8,15-16,18-19,21-22,30H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,22+,24-,25-,26+/m0/s1
InChI key:
WEGNFRKBIKYVLC-XTLNBZDDSA-N
SMILES:
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C
Systematic name (3):
21-(アセチルオキシ)-6α-フルオロ-11β-ヒドロキシ-16α,17-[(1-メチルエチリデン)ビスオキシ]プレグナ-1,4-ジエン-3,20-ジオン
2-[(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-フルオロ-11-ヒドロキシ-6,6,9,13-テトラメチル-16-オキソ-5,7-ジオキサペンタシクロ[10.8.0.02,9 .04,8 .013,18 ]イコサ-14,17-ジエン-8-イル]-2-オキソエチル アセタート
2-[(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9 .04,8 .013,18 ]icosa-14,17-dien-8-yl]-2-oxoethyl acetate
Other name (1):
21-(Acetyloxy)-6α-fluoro-11β-hydroxy-16α,17-[(1-methylethylidene)bisoxy]pregna-1,4-diene-3,20-dione
CAS registry number:
4533-89-5
Regulation number (1):
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