EPOSTANE ,80471-63-2 _Chemical Cloud Database

EPOSTANE

Basic Information
Product Name：	EPOSTANE
CAS：	80471-63-2
English Synonyms：	(4ALPHA,5ALPHA,17BETA)-4,5-EPOXY-3,17-DIHYDROXY-4,17-DIMETHYLANDROST-2-ENE-2-CARBONITRILE ; EPOSTANE
MDL Number.：	MFCD00199296
H bond acceptor：	4
H bond donor：	2
Smile：	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@]45[C@@]3(CC(=C([C@]4(O5)C)O)C#N)C
InChi：	InChI=1S/C22H31NO3/c1-18-8-6-16-14(15(18)7-9-20(18,3)25)5-10-22-19(16,2)11-13(12-23)17(24)21(22,4)26-22/h14-16,24-25H,5-11H2,1-4H3/t14-,15-,16-,18-,19+,20-,21+,22-/m0/s1
InChiKey：	InChIKey=CETKWEWBSMKADK-GSXVSZIWSA-N

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