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ESTRA-1,3,5(10),6-TETRAENE-3,17-BETA-DIOL
SpectraBase Compound ID 2VR4R9vQgev
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3
InChIKey VVLCELUSWGWMSW-UHFFFAOYSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8wPON71AsU
Name Estra-1,3,5(10),6-tetraene-3,17-diol, (17.beta.)-
CAS Registry Number 7291-41-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3
InChIKey VVLCELUSWGWMSW-UHFFFAOYSA-N
Molecular Weight 270.372 g/mol
SMILES Oc1ccc2c(C=CC3C2CCC2(C3CCC2O)C)c1
SPLASH splash10-05fr-1930000000-a324e1a5c997331b83c2
Source of Spectrum DE-0-26-0
Synonyms Estra-1,3,5(10),6-tetraene-3,17-diol 13-Methyl-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol Delta 6 E2 Estra-1,3,5(10),6-tetraene-3,17-diol, (17beta)- Estra-1,3,5(10),6-tetraene-3,17.beta.-diol NSC 57430
Wiley ID 1274859