[8S,9S,13S,14S,17S]-(+)-17-tert-Butoxy-3-methoxyestra-1,3,5(10)-triene

SpectraBase Compound ID	J81d00ylCF3
InChI	InChI=1S/C23H34O2/c1-22(2,3)25-21-11-10-20-19-8-6-15-14-16(24-5)7-9-17(15)18(19)12-13-23(20,21)4/h7,9,14,18-21H,6,8,10-13H2,1-5H3/t18-,19+,20+,21+,23+/m1/s1
InChIKey	KPNVWKPCLPHNQF-KPUUQYQLSA-N Google Search
Mol Weight	342.5 g/mol
Molecular Formula	C23H34O2
Exact Mass	342.25588 g/mol

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SpectraBase Spectrum ID	LLOMUCY2ovM
Name	[8S,9S,13S,14S,17S]-(+)-17-tert-Butoxy-3-methoxyestra-1,3,5(10)-triene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C23H34O2
InChI	InChI=1S/C23H34O2/c1-22(2,3)25-21-11-10-20-19-8-6-15-14-16(24-5)7-9-17(15)18(19)12-13-23(20,21)4/h7,9,14,18-21H,6,8,10-13H2,1-5H3/t18-,19+,20+,21+,23+/m1/s1
InChIKey	KPNVWKPCLPHNQF-KPUUQYQLSA-N
Molecular Weight	342.523 g/mol
SMILES	[C@@]12([C@]([C@]3(CCc4c([C@]3(CC2)[H])ccc(OC)c4)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH	splash10-052o-8059000000-504ab48b0fb89609e1ba
Source of Spectrum	F-47-7592-12
Synonyms	(8alpha,17beta)-17-tert-butoxy-3-methoxyestra-1,3,5(10)-triene
Wiley ID	1337010