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5.ALPHA.-ESTRANE-3.BETA.,17.BETA.-DIOL
SpectraBase Compound ID K4QeR3h986e
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/t11-,12-,13-,14+,15+,16-,17-,18-/m0/s1
InChIKey QNKATSBSLLYTMH-WTCPTMCSSA-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 H2Kuo1bkZfB
Name 5.ALPHA.-ESTRANE-3.BETA.,17.BETA.-DIOL
CAS Registry Number 1816-75-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 278.224580204 u
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/t11-,12-,13-,14+,15+,16-,17-,18-/m0/s1
InChIKey QNKATSBSLLYTMH-WTCPTMCSSA-N
Molecular Weight 278.436 g/mol
Nominal Mass 278 u
Number of Peaks 112
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])[H])[H])C)[H]
SPLASH splash10-0w4l-6890000000-1408cec6b7efc430abc6
Source File Reference LMCM-15213-215T
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ESTRANE-3,17-DIOL (3S,5S,8R,9R,10S,13S,14S,17S)-13-methylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_2087