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17-Desoxyestradiol
SpectraBase Compound ID H2GGXKF56WA
InChI InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1
InChIKey HJKVPZJVBHWFCQ-BDXSIMOUSA-N
Mol Weight 256.39 g/mol
Molecular Formula C18H24O
Exact Mass 256.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BD8owjM7rDg
Name ESTRA-1,3,5(10)-TRIENE-3-OL
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Exact Mass 256.182715392 u
Formula C18H24O
InChI InChI=1S/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3/t15-,16-,17+,18+/m1/s1
InChIKey HJKVPZJVBHWFCQ-BDXSIMOUSA-N
Molecular Weight 256.389 g/mol
Nominal Mass 256 u
Number of Peaks 33
SMILES Oc1ccc2[C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CCc2c1)[H])[H])C)[H]
SPLASH splash10-0a4i-0490000000-68e28cf05b016ffa97eb
Source File Reference LMCM-55722-252S
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ESTRA-1,3,5(10)-TRIEN-3-OL (8S,9S,13S,14S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
Wiley ID 4_402