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Methylandrostanediol
SpectraBase Compound ID 5mbOEVUD4f9
InChI InChI=1S/C20H34O2/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/h13-17,21-22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey QGKQXZFZOIQFBI-UYEYMFBJSA-N
Mol Weight 306.5 g/mol
Molecular Formula C20H34O2
Exact Mass 306.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGL2wXxhI
Name Androstane-3,17-diol, 17-methyl-, (3..beta..,5..alpha..,17..beta..)-
Carrier Gas Helium (54.1 mL/min)
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Exact Mass 306.255880333 u
Formula C20H34O2
GC Column SH-Rxi-5silMS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 250oC
InChI InChI=1S/C20H34O2/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/h13-17,21-22H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-/m0/s1
InChIKey QGKQXZFZOIQFBI-UYEYMFBJSA-N
Inlet Type Split ratio (50:05)
Instrument Name Shimadzu TQ8050 plus
Ionization Type EI
Literature Reference DOI 10.1002/cbdv.202300332
Molecular Weight 306.490 g/mol
Quality 832
SMILES O[C@@]1([C@@]2([C@]([C@]3([C@@]([C@]4(CC[C@@](C[C@@]4(CC3)[H])(O)[H])C)(CC2)[H])[H])(CC1)[H])C)C
SPLASH splash10-052f-9720000000-8d36111698fba51a31fd
Source of Spectrum CBD-20-SM14-14-6 (DOI: 10.1002/cbdv.202300332)
Wiley ID 1909913