72-33-3 Purity
98%
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The molecular formula of 15Beta-hyfroxy-17beta-estradiol is C18H24O3.
The molecular weight of 15Beta-hyfroxy-17beta-estradiol is 288.4 g/mol.
The IUPAC name of 15Beta-hyfroxy-17beta-estradiol is (8R,9S,13S,14S,15R,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,17-triol.
The InChI of 15Beta-hyfroxy-17beta-estradiol is InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)17(18)15(20)9-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15-,16+,17-,18-/m1/s1.
The InChIKey of 15Beta-hyfroxy-17beta-estradiol is QVQMPLATUBCZMQ-PDCGBLAGSA-N.
The Canonical SMILES of 15Beta-hyfroxy-17beta-estradiol is CC12CCC3C(C1C(CC2O)O)CCC4=C3C=CC(=C4)O.
The Isomeric SMILES of 15Beta-hyfroxy-17beta-estradiol is C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H](C[C@@H]2O)O)CCC4=C3C=CC(=C4)O.
The XLogP3 value of 15Beta-hyfroxy-17beta-estradiol is 3.
15Beta-hyfroxy-17beta-estradiol has 3 hydrogen bond donor counts.
15Beta-hyfroxy-17beta-estradiol has 3 hydrogen bond acceptor counts.