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3alpha-hydroxy-6alpha-methylandrost-4-en-17-one
SpectraBase Compound ID EScTupGbtLX
InChI InChI=1S/C20H30O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-16,21H,4-10H2,1-3H3/t12-,13+,14-,15-,16-,19+,20-/m0/s1
InChIKey NHJDSHABXIUJHA-LJVJIRBISA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vSPYFc1IUP
Name 3alpha-hydroxy-6alpha-methylandrost-4-en-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h11-16,21H,4-10H2,1-3H3/t12-,13+,14-,15-,16-,19+,20-/m0/s1
InChIKey NHJDSHABXIUJHA-LJVJIRBISA-N
Literature Reference DOI 10.1002/rcm.3367
Molecular Weight 302.458 g/mol
SMILES O[C@]1(C=C2[C@](CC1)([C@@]1([C@@](C[C@@]2(C)[H])([C@]2([C@](CC1)(C(CC2)=O)C)[H])[H])[H])C)[H]
SPLASH splash10-003u-5950000000-5114df5bdc45414532a6
Source of Spectrum RCM-22-324-4
Synonyms (3R,6S,8R,9S,10R,13S,14S)-3-hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-one
Wiley ID 1814560