1,3,5(10)-ESTRATRIEN-3,16-ALPHA,17-BETA-TRIOL-6-ONE

CAS No.
7323-86-6
CCD No.
CCD00030758
Formula
C18 H22 O4
MolWeight
302.368

Basic Information

Product Name: 1,3,5(10)-ESTRATRIEN-3,16-ALPHA,17-BETA-TRIOL-6-ONE
CAS: 7323-86-6
English Synonyms: 6-KETOESTRIOL ; 1,3,5(10)-ESTRATRIEN-3,16-ALPHA,17-BETA-TRIOL-6-ONE ; 3,16ALPHA,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIEN-6-ONE
MDL Number.: MFCD00046250
H bond acceptor: 4
H bond donor: 3
Smile: C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O
InChi: InChI=1S/C18H22O4/c1-18-5-4-11-10-3-2-9(19)6-13(10)15(20)7-12(11)14(18)8-16(21)17(18)22/h2-3,6,11-12,14,16-17,19,21-22H,4-5,7-8H2,1H3/t11-,12-,14+,16-,17+,18+/m1/s1
InChiKey: InChIKey=PYFIDTBVOMQKDC-XCYHEEQWSA-N

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