Chem
J-GLOBAL ID:200907050191804306
Nikkaji number:J7.669D
AY-11440
クロゲストンアセタート
Download MOL file
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:
C25 H33 ClO5
Molecular formula furigana:
C25-H33-CL-O5
Molecular weight:
448.980
InChI:
InChI=1S/C25H33ClO5/c1-14(27)25(31-16(3)29)11-8-20-18-13-22(26)21-12-17(30-15(2)28)6-9-23(21,4)19(18)7-10-24(20,25)5/h12-13,17-20H,6-11H2,1-5H3/t17-,18+,19-,20-,23+,24-,25-/m0/s1
InChI key:
KSCZWFXQKITHSL-OKCNGXCSSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(=O)C)C(=O)C)[C@@H]3C=C(Cl)C2=C1
Systematic name (3):
3β,17-ビスアセトキシ-6-クロロプレグナ-4,6-ジエン-20-オン
(1R,3aS,3bR,7S,9aR,9bS,11aS)-1-アセチル-7-(アセチルオキシ)-5-クロロ-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル アセタート
(1R,3aS,3bR,7S,9aR,9bS,11aS)-1-acetyl-7-(acetyloxy)-5-chloro-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Other name (4):
クロゲストンアセタート
AY-11440
Clogestone acetate
3β,17-Bisacetoxy-6-chloropregna-4,6-dien-20-one
CAS registry number:
3044-32-4
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