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Estra-1,3,5(10)-triene-6.alpha.,17.beta.-diol, 3-methoxy-
SpectraBase Compound ID 1Nb5l6zDNHG
InChI InChI=1S/C19H26O3/c1-19-8-7-13-12-4-3-11(22-2)9-15(12)17(20)10-14(13)16(19)5-6-18(19)21/h3-4,9,13-14,16-18,20-21H,5-8,10H2,1-2H3
InChIKey SGKSNEXYMMIQKE-UHFFFAOYSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JsIjbMdaOUS
Name Estra-1,3,5(10)-triene-6.alpha.,17.beta.-diol, 3-methoxy-
CAS Registry Number 7291-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-19-8-7-13-12-4-3-11(22-2)9-15(12)17(20)10-14(13)16(19)5-6-18(19)21/h3-4,9,13-14,16-18,20-21H,5-8,10H2,1-2H3
InChIKey SGKSNEXYMMIQKE-UHFFFAOYSA-N
Molecular Weight 302.414 g/mol
SMILES OC1CCC2C1(CCC1C2CC(c2cc(ccc12)OC)O)C
SPLASH splash10-0089-0970000000-ebbfdb10d6d3fb5bcf83
Source of Spectrum W5-27237-0-0
Synonyms 3-Methoxyestra-1,3,5(10)-triene-6,17-diol 3-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-6,17-diol
Wiley ID 1304922