4-胆甾烯-3-酮 ,601-57-0 _ChemCD

4-胆甾烯-3-酮

basic_info
Product_Name：	4-胆甾烯-3-酮
CAS：	601-57-0
中文同义词：	膽甾烯酮 ; 4-胆甾烯-3-酮 ; 胆甾-4-烯-3-酮 ; 正-4-胆甾烯-3-酮
EnglishSynonyms：	3-OXO-4-CHOLESTENE ; CHOLEST-4-ENE-3-ONE ; (+)-3-OXO-4-CHOLESTENE ; 17-(1,5-DIMETHYLHEXYL)-10,13-DIMETHYL-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE ; 4-CHOLESTEN-3-ONE ; CHOLESTENONE ; 3-KETO-4-CHOLESTENE ; DELTA4-CHOLESTEN-3-ONE ; (+)-4-CHOLESTEN-3-ONE
pro_mdlNumber：	MFCD00003663
pro_acceptors：	1
pro_donors：	0
pro_smile：	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChi：	InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChiKey：	InChIKey=NYOXRYYXRWJDKP-GYKMGIIDSA-N
property
MeltingPoint：	79-81 DEG C(LIT)
Comments：	OPTICAL ACTIVITY: [ALPHA]23/D +91.0 DEG, C = 2 IN CHLOROFORM OTHER NOTES: TANDEM MASS SPECTROMETRY DATA INDEPENDENTLY GENERATED BY SCRIPPS CENTER FOR METABOLOMICS IS AVAILABLE TO VIEW OR DOWNLOAD IN PDF. 188174.PDF TESTED METABOLITES ARE FEATURED ON SCRIPPS CENTER FOR METABOLOMICS METLIN METABOLITE DATABASE. TO LEARN MORE, VISIT SIGMA.COM/METLIN RTECS: FZ7700000 UNSPSC: 12352100 WGK: 3
secure_info
secure_risk_stmt：	H413
secure_wgk_germany：	3

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