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(1S,5S,7S,8R,9S,10S,13S,14S,17S)-7,17-dihydroxy-1,10,13-trimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
SpectraBase Compound ID r0Wono7qPY
InChI InChI=1S/C20H32O3/c1-11-8-13(21)9-12-10-16(22)18-14-4-5-17(23)19(14,2)7-6-15(18)20(11,12)3/h11-12,14-18,22-23H,4-10H2,1-3H3/t11-,12+,14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey LAUIHEUFEXGUHZ-OBMFWWOWSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4AA2Rz9wT2
Name (1S,5S,7S,8R,9S,10S,13S,14S,17S)-7,17-dihydroxy-1,10,13-trimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
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Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-11-8-13(21)9-12-10-16(22)18-14-4-5-17(23)19(14,2)7-6-15(18)20(11,12)3/h11-12,14-18,22-23H,4-10H2,1-3H3/t11-,12+,14-,15-,16-,17-,18-,19-,20-/m0/s1
InChIKey LAUIHEUFEXGUHZ-OBMFWWOWSA-N
Literature Reference DOI 10.1016/j.molcatb.2017.03.001
Molecular Weight 320.473 g/mol
SMILES O[C@@]1([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2([C@](CC(C[C@@]2(C1)[H])=O)(C)[H])C)[H])C)(O)[H])[H])[H])[H]
SPLASH splash10-0k96-4941000000-01d17705ad4fa6ae33ae
Source of Spectrum M.S. Ahmad, et al. Journal of Molecular Catalysis B: Enzymatic, 10.1016/j.molcatb.2017.03.001
Wiley ID 1816352