Estetrol monohydrate
CAS 2055649-81-3
Overview
Estetrol monohydrate, 2055649-81-3, (8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol;hydrate
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Technical Data
Cat. No.ANTPRD10191
CAS2055649-81-3
Mol. FormulaC18H26O5
Mol. Weight322.401 g/mol
IUPAC(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol;hydrate
SMILESC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2O.O
InChIInChI=1S/C18H24O4.H2O/c1-18-7-6-12-11-5-3-10(19)8-9(11)2-4-13(12)14(18)15(20)16(21)17(18)22;/h3,5,8,12-17,19-22H,2,4,6-7H2,1H3;1H2/t12-,13-,14-,15-,16-,17+,18+;/m1./s1
InChI KeyXRJNAPXFAXBPAM-BVTDNVAGSA-N
Synonyms
estetrol monohydrateESTETROL HYDRATEEstetrol [USAN]Estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol monohydrateEstra-1,3,5(10)-triene-3,15,16,17-tetrol, hydrate (1:1), (15alpha,16alpha,17beta)-Estetrol hydrousE4 monohydrateE4 hydrousEstetrol (hydrate)Fylrevy (TN)