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5.alpha.-Androstan-17.beta.-carboxaldehyde
SpectraBase Compound ID DRVTjyhWaFV
InChI InChI=1S/C20H32O/c1-19-11-4-3-5-14(19)6-8-16-17-9-7-15(13-21)20(17,2)12-10-18(16)19/h13-18H,3-12H2,1-2H3/t14-,15-,16+,17+,18+,19+,20-/m1/s1
InChIKey LHNQNLJFDGKJBS-LFGUEBOJSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FsKGBmcWrW
Name 5.alpha.-Androstan-17.beta.-carboxaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.245315649 u
Formula C20H32O
InChI InChI=1S/C20H32O/c1-19-11-4-3-5-14(19)6-8-16-17-9-7-15(13-21)20(17,2)12-10-18(16)19/h13-18H,3-12H2,1-2H3/t14-,15-,16+,17+,18+,19+,20-/m1/s1
InChIKey LHNQNLJFDGKJBS-LFGUEBOJSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502148
Molecular Weight 288.475 g/mol
Optical Rotation [a]D20 = 12.4 (CH2Cl2, 2.7 g/L)
Quality 353
Reported Formula C20H32O
SMILES C1C[C@]2([C@](CC1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(C=O)[H])[H])C)[H])[H])[H])C
SPLASH splash10-015a-9410000000-3df0b8c7eff5b618bb3a
Source of Spectrum QE-21-12505-9 (DOI: 10.1002/chem.201502148)
Wiley ID 1909172