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13-Methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol
SpectraBase Compound ID DAg031eMVzD
InChI InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3
InChIKey QNKATSBSLLYTMH-UHFFFAOYSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bDN3hHD4qY
Name 3.ALPHA.,17.BETA.-DIHYDROXY-5.BETA.-ESTRAN
Alternate Name(s) ESTRANE-3,17-DIOL
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3
InChIKey QNKATSBSLLYTMH-UHFFFAOYSA-N
Nominal Mass 278 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)C(O)CCC2C2CCC3C(CCC(O)C3)C2CC1
SPLASH splash10-0hkc-9770000000-9ac7665b1abd84e47f79
Source File Reference LMCM-72068-642Z
Source of Spectrum Copyright (C) Prof. Spiteller, University Bayreuth, Germany