1,4-PREGNADIEN-3,20-DIONE (8S,9S,10R,13S,14S,17S)-17-乙酰基-10,13-二甲基-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊烷[a]菲-3-酮 （黄体酮杂质）

CAS 1162-54-5 MFCD00199857

化学结构图

1162-54-5
SMILES: CC(=O)C1CCC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C

化学属性

Mol. FormulaC21H28O2
Mol. Weight312.45
Melting Point151-152 °C
Boiling Point449.2±45.0 °C at 760 mmHg

别名和识别编码

Chemical Name1,4-PREGNADIEN-3,20-DIONE
Chemical Name Translation(8S,9S,10R,13S,14S,17S)-17-乙酰基-10,13-二甲基-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊烷[a]菲-3-酮 （黄体酮杂质）
LabNetwork Molecule IDLN04597906
PubChem Substance ID247929
InChIInChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
MDL NumberMFCD00199857
CAS Number1162-54-5
Synonym (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Progesterone Impurity) {LY} (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Progesterone Impurity) {} {LY} (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Progesterone Impurity) {} {} {LY} (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Progesterone Impurity) {} {} {} {LY} (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Progesterone Impurity) {} {} {} {} {LY} (8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (Progesterone Impurity) {} {} {} {} {} {LY} (8S,9S
Canonical SMILESC[C@@]12[C@]3([H])[C@](CCC1=CC(C=C2)=O)([H])[C@@]4([H])[C@](CC3)([C@H](CC4)C(C)=O)C
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安全信息

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