17-ethynylestratrienediol 17-acetate

SpectraBase Compound ID	Hb5Xin8MC5B
InChI	InChI=1S/C22H26O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey	SZCORSRXZZKFQZ-AANPDWTMSA-N Google Search
Mol Weight	338.45 g/mol
Molecular Formula	C22H26O3
Exact Mass	338.188195 g/mol

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SpectraBase Spectrum ID	2wseU1QtCAu
Name	17-ethynylestratrienediol 17-acetate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H26O3
InChI	InChI=1S/C22H26O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey	SZCORSRXZZKFQZ-AANPDWTMSA-N
Molecular Weight	338.447 g/mol
SMILES	Oc1ccc2[C@]3(CC[C@@]4([C@@](C#C)(OC(=O)C)CC[C@]4([C@@]3(CCc2c1)[H])[H])C)[H]
SPLASH	splash10-03dj-0591000000-18d41edce4ebf4b50140
Source of Spectrum	CJ-1992-0-0
Synonyms	(17beta)-17-ethynyl-3-hydroxyestra-1,3,5(10)-trien-17-yl acetate 17-Ethynylestradiol 17-acetate Acetic acid[(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ester [(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoate [(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetate [(8R,9S,13S,14S,17R)-17-ethynyl-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate [(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
Wiley ID	1334125