ESTRIOL ,50-27-1 _Chemical Cloud Database

ESTRIOL

Basic Information
Product Name：	ESTRIOL
CAS：	50-27-1
English Synonyms：	THEELOL ; 16ALPHA-HYDROXYESTRADIOL ; ESTRA-1,3,5(10)-TRIENE-3,16-ALPHA,17-BETA-TRIOL ; (8R,9S,13S,14S,16R,17R)-13-METHYL-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA[A]PHENANTHRENE-3,16,17-TRIOL ; DESTRIOL ; OESTRIOL (E3) ; TRIDESTRIN ; 3,16ALPHA,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE ; ACIFEMINE ; 1,3,5(10)-ESTRATRIENE-3,16ALPHA,17BETA-TRIOL ; TRICOVEX ; 1,3,5(10)-ESTRATRIEN-3,16A,17BETA-TRIOL ; 1,3,5(10)-ESTRATRIEN-3,16ALPHA,17BETA-TRIOL ; OVESTERIN ; OVESTIN ; COLPOGYN ; ESTRIOL ; E 3 ; 1,3,5-ESTRATRIENE-3BETA,16ALPHA,17BETA-TRIOL ; OESTRIOL ; ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL ; ESTRIOL, USP 99+% ; (16ALPHA,17BETA)-ESTRA-1,3,5[10]-TRIENE-3,16,17-TRIOL ; 16ALPHA-HYDROXY 17BETA-ESTRADIOL
MDL Number.：	MFCD00003691
H bond acceptor：	3
H bond donor：	3
Smile：	C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O
InChi：	InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChiKey：	InChIKey=PROQIPRRNZUXQM-ZXXIGWHRSA-N
Property
Melting Point：	280-282 DEG C(LIT)
Comments：	OPTICAL ACTIVITY: [ALPHA]20/D +62 DEG, C = 1 IN 95% ETHANOL RTECS: KG8225000 UNSPSC: 12352100 WGK: 3
Safety information
Symbol：	GHS08
Signal word：	Danger
Hazard statements：	H351-H360
Precautionary statements：	P201-P281-P308 + P313
hazard symbol：	T
Risk Code：	R:60-61-40
Safe Code：	S:53-36/37-45
WGK Germany：	3

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