| SpectraBase Spectrum ID |
EpzUZmLHJJL |
| Name |
(1R,2R,4aS,8aR)-2-[4-(4-Methoxy-benzyloxy)-butyl]-6-oxo-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carbothioic acid S-ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O4S |
| InChI |
InChI=1S/C25H34O4S/c1-3-30-25(27)24-19(9-10-20-16-21(26)11-14-23(20)24)6-4-5-15-29-17-18-7-12-22(28-2)13-8-18/h7-10,12-13,19-20,23-24H,3-6,11,14-17H2,1-2H3/t19-,20-,23-,24-/m1/s1 |
| InChIKey |
ZVFARIOPKCOQOS-FAYOUJPWSA-N |
| Molecular Weight |
430.603 g/mol |
| SMILES |
[C@@]12([C@](C(=O)SCC)([C@](CCCCOCc3ccc(cc3)OC)(C=C[C@@]1(CC(CC2)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-00di-0900000000-b7005d63c50fc976a6d9 |
| Source of Spectrum |
QE-7-4112-22 |
| Synonyms |
Ethyl 2-[4-(4-Methoxybenzyloxy)butyl]-6-oxooctahydronaphthalene-1-thio-carboxylate
S-ethyl (1R,2R,4aS,8aR)-2-{4-[(4-methoxybenzyl)oxy]butyl}-6-oxo-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarbothioate |
| Wiley ID |
846060 |
![(1R,2R,4aS,8aR)-2-[4-(4-Methoxy-benzyloxy)-butyl]-6-oxo-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carbothioic acid S-ethyl ester](/api/spectrum/EpzUZmLHJJL/structure.png?h=300&w=458 "(1R,2R,4aS,8aR)-2-[4-(4-Methoxy-benzyloxy)-butyl]-6-oxo-1,2,4a,5,6,7,8,8a-octahydro-naphthalene-1-carbothioic acid S-ethyl ester")
