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Estra-1,3,5(10)-trien-17-ol, 3,4-[1,2-ethanediylbis(oxy)]-, (17.beta.)-
SpectraBase Compound ID tK294snXgJ
InChI InChI=1S/C20H26O3/c1-20-9-8-13-12-4-6-17-19(23-11-10-22-17)15(12)3-2-14(13)16(20)5-7-18(20)21/h4,6,13-14,16,18,21H,2-3,5,7-11H2,1H3/t13-,14-,16+,18+,20+/m1/s1
InChIKey XJTCSUMKCJQQQW-XQRBHQRSSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQWihssBhjL
Name Estra-1,3,5(10)-trien-17-ol, 3,4-[1,2-ethanediylbis(oxy)]-, (17.beta.)-
CAS Registry Number 123764-05-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-20-9-8-13-12-4-6-17-19(23-11-10-22-17)15(12)3-2-14(13)16(20)5-7-18(20)21/h4,6,13-14,16,18,21H,2-3,5,7-11H2,1H3/t13-,14-,16+,18+,20+/m1/s1
InChIKey XJTCSUMKCJQQQW-XQRBHQRSSA-N
Molecular Weight 314.425 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc2OCCOc42)[H])(CC1)[H])C)[H]
SPLASH splash10-052f-9002000000-00b6f5ed650c40d51416
Source of Spectrum B-42-430-21
Synonyms (6bS,8aS,9S,11aS,11bR)-8a-methyl-2,3,7,8,8a,9,10,11,11a,11b,12,13-dodecahydro-6bH-cyclopenta[7,8]phenanthro[1,2-b][1,4]dioxin-9-ol 5',6'-Dihydroestra-1,3,5(10)-trieno[3,4-b]-1',4'-dioxin-17.beta.-ol
Wiley ID 1315422