| SpectraBase Spectrum ID |
ARuJJQSu5a1 |
| Name |
(4b.alpha.,8a.beta.,9.beta.)-4b,5,6,7,8,8a,9,10-Octahydro-9-phenanthrenol 4-methylbenzenesulfonate |
| Alternate Name(s) |
(4bS,8aS,9S)-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenyl 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 |
| Wiley ID |
1345905 |
