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5a-Androstan-17.beta.-yl-4-toluenesulfonate
SpectraBase Compound ID 3RPBIaFjB2M
InChI InChI=1S/C26H38O3S/c1-18-7-10-20(11-8-18)30(27,28)29-24-14-13-22-21-12-9-19-6-4-5-16-25(19,2)23(21)15-17-26(22,24)3/h7-8,10-11,19,21-24H,4-6,9,12-17H2,1-3H3/t19-,21?,22?,23?,24+,25+,26+/m1/s1
InChIKey KNJVWAVLNHNHKV-FTBBLMGVSA-N
Mol Weight 430.6 g/mol
Molecular Formula C26H38O3S
Exact Mass 430.254166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 34nHzt32bQS
Name 5a-Androstan-17.beta.-yl-4-toluenesulfonate
Alternate Name(s) (5R,10S,13S,17S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl 4-methylbenzenesulfonate
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Formula C26H38O3S
InChI InChI=1S/C26H38O3S/c1-18-7-10-20(11-8-18)30(27,28)29-24-14-13-22-21-12-9-19-6-4-5-16-25(19,2)23(21)15-17-26(22,24)3/h7-8,10-11,19,21-24H,4-6,9,12-17H2,1-3H3/t19-,21?,22?,23?,24+,25+,26+/m1/s1
InChIKey KNJVWAVLNHNHKV-FTBBLMGVSA-N
Molecular Weight 430.647 g/mol
SMILES [C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@]2(C(C3CC[C@@]4([C@](C3CC2)(C)CCCC4)[H])CC1)C)[H]
SPLASH splash10-0a4j-0980100000-c8780094b45aee0f4116
Source of Spectrum U1-2013-5942-16
Wiley ID 1736164