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(4b.alpha.,8a.beta.,9.beta.)-4b,5,6,7,8,8a,9,10-Octahydro-9-phenanthrenol 4-methylbenzenesulfonate
SpectraBase Compound ID Evq7qGYcW75
InChI InChI=1S/C21H24O3S/c1-15-10-12-17(13-11-15)25(22,23)24-21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-3,6-7,10-13,19-21H,4-5,8-9,14H2,1H3/t19-,20+,21+/m1/s1
InChIKey KPYKKXZSXRDDJN-HKBOAZHASA-N
Mol Weight 356.48 g/mol
Molecular Formula C21H24O3S
Exact Mass 356.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARuJJQSu5a1
Name (4b.alpha.,8a.beta.,9.beta.)-4b,5,6,7,8,8a,9,10-Octahydro-9-phenanthrenol 4-methylbenzenesulfonate
CAS Registry Number 69401-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O3S
InChI InChI=1S/C21H24O3S/c1-15-10-12-17(13-11-15)25(22,23)24-21-14-16-6-2-3-7-18(16)19-8-4-5-9-20(19)21/h2-3,6-7,10-13,19-21H,4-5,8-9,14H2,1H3/t19-,20+,21+/m1/s1
InChIKey KPYKKXZSXRDDJN-HKBOAZHASA-N
Molecular Weight 356.480 g/mol
SMILES [C@]1(OS(c2ccc(cc2)C)(=O)=O)([C@@]2([C@@](CCCC2)([H])c2c(C1)cccc2)[H])[H]
SPLASH splash10-00ec-3900000000-d5594051ff149e1b4035
Source of Spectrum J-44-1506-0
Synonyms (4bS,8aS,9S)-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenyl 4-methylbenzenesulfonate
Wiley ID 1345905