Chem
J-GLOBAL ID:200907088447788173
Nikkaji number:J39.545E
Tetrahydrocortexolone
テトラヒドロデオキシコルチソール
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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:
C21 H34 O4
Molecular formula furigana:
C21-H34-O4
Molecular weight:
350.499
InChI:
InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3/t13-,14-,15-,16+,17+,19+,20+,21+/m1/s1
InChI key:
UPTAPIKFKZGAGM-FAIYVORSSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name (4):
3α,17α,21-トリヒドロキシ-5β-プレグナン-20-オン
3α,17,21-トリヒドロキシ-5β-プレグナン-20-オン
1-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1,7-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]-2-ヒドロキシエタン-1-オン
1-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-hydroxyethan-1-one
Other name (9):
CAS registry number:
68-60-0
Regulation number (1):
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