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Structure

3-O-Benzyl 16-Epiestriol

CAS
33116-58-4
Catalog Number
ACM33116584
Category
Other Products
Molecular Weight
378.5
Molecular Formula
C25H30O3

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Specification

Synonyms
3-(Benzyloxy)-estra-1,3,5(10)-triene-16β,17β-diol; (16β,17β)-3-(Phenylmethoxy)-estra-1,3,5(10)-triene-16,17-diol;
IUPAC Name
(8R,9S,13S,14S,16S,17R)-13-methyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
Canonical SMILES
C[C@H]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OCC5=CC=CC=C5
InChI Key
GDUPBUZZJUIEDX-FLEOUKIISA-N
Melting Point
194-196 °C
Appearance
White Solid
Exact Mass
378.21900
H-Bond Acceptor
3
H-Bond Donor
2
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