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Estradiol-17-Stearate
[CAS# 82205-00-3]

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Identification
Name Estradiol-17-Stearate
Synonyms Octadecanoic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Stearic Acid [(8R,9S,13S,14S,17S)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Estra-1,3,5(10)-Triene-3,17-Diol (17Beta)-, 17-Octadecanoate
Molecular Structure CAS#: 82205-00-3, Estradiol-17-Stearate
Molecular Formula C36H58O3
Molecular Weight 538.85
CAS Registry Number 82205-00-3
SMILES [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(O)C=C2)CC[C@@]3([C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CC4)C
InChI 1S/C36H58O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(38)39-34-24-23-33-32-21-19-28-27-29(37)20-22-30(28)31(32)25-26-36(33,34)2/h20,22,27,31-34,37H,3-19,21,23-26H2,1-2H3/t31-,32-,33+,34+,36+/m1/s1
InChIKey KIADYVOYCQRXRE-IMTRJTTHSA-N
Properties
Density 1.03g/cm3 (Cal.)
Boiling point 629.73°C at 760 mmHg (Cal.)
Flash point 227.196°C (Cal.)
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