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(9xi,14xi,16beta,17beta)-(2,4,15,15,16,17-2H6)Estra-1(10),2,4-Triene-3,16,17-Triol
[CAS# 221093-41-0]

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Identification
Name (9xi,14xi,16beta,17beta)-(2,4,15,15,16,17-2H6)Estra-1(10),2,4-Triene-3,16,17-Triol
Synonyms 16-Epiestriol-d6
Molecular Structure CAS#: 221093-41-0, (9xi,14xi,16beta,17beta)-(2,4,15,15,16,17-<Sup>2</Sup>H<Sub>6</Sub>)Estra-1(10),2,4-Triene-3,16,17-Triol
Molecular Formula C18H18D6O3
Molecular Weight 294.42
CAS Registry Number 221093-41-0
SMILES [2H]c1cc2c(c(c1O)[2H])CC[C@@H]3C2CC[C@]4(C3C([C@]([C@]4([2H])O)([2H])O)([2H])[2H])C
InChI 1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13?,14-,15?,16+,17+,18+/m1/s1/i3D,8D,9D2,16D,17D
InChIKey PROQIPRRNZUXQM-UQSBTAFRSA-N
Properties
Density 1.282g/cm3 (Cal.)
Boiling point 469.02°C at 760 mmHg (Cal.)
Flash point 220.828°C (Cal.)
Refractive index 1.624 (Cal.)
Market Analysis Reports
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