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Methandriol
SpectraBase Compound ID Hg47c62Tzuq
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey WRWBCPJQPDHXTJ-DTMQFJJTSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Sgh5gAbJLe
Name 3.BETA.,17.BETA.-DIHYDROXY-17.ALPHA.-METHYL-ANDROST-5-ENE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.240230268 u
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey WRWBCPJQPDHXTJ-DTMQFJJTSA-N
Molecular Weight 304.474 g/mol
Nominal Mass 304 u
Number of Peaks 115
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])C)[H])C)C
SPLASH splash10-0udl-7972000000-ced6f4e1aa3ad23a7ab8
Source File Reference LMCM-61701-594A
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-METHYLANDROST-5-ENE-3,17-DIOL (3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_465