| SpectraBase Spectrum ID |
1ge5JI89KtX |
| Name |
(4a.alpha.,5.alpha.,8.beta.,8a.beta.)-octahydro-5,8-dihydroxy-4a-methyl-2-(1H)-naphthalenone 5-(4-methylbenzenesulfonate) |
| CAS Registry Number |
123994-90-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24O5S |
| InChI |
InChI=1S/C18H24O5S/c1-12-3-5-14(6-4-12)24(21,22)23-17-8-7-16(20)15-11-13(19)9-10-18(15,17)2/h3-6,15-17,20H,7-11H2,1-2H3/t15-,16+,17+,18+/m0/s1 |
| InChIKey |
YQBXLHYSEQDULD-BSDSXHPESA-N |
| Molecular Weight |
352.445 g/mol |
| SMILES |
O[C@@]1(CC[C@]([C@]2([C@]1(CC(CC2)=O)[H])C)(OS(c1ccc(cc1)C)(=O)=O)[H])[H] |
| SPLASH |
splash10-006x-9700000000-14aa336154c704526d76 |
| Source of Spectrum |
J-55-944-8 |
| Synonyms |
(1R,4R,4aR,8aR)-4-hydroxy-8a-methyl-6-oxodecahydro-1-naphthalenyl 4-methylbenzenesulfonate |
| Wiley ID |
1343126 |
