| SpectraBase Spectrum ID |
9PpMO6d4teE |
| Name |
(3.alpha.,4.beta.,8.beta.,8a.alpha.)-(+-)-1,2,3,3a,4,7,8,8a-Octahydro-2,2,8-trimethyl-6-[(phenylthio)methyl]-4,8-epoxyazulen-5-carboxaldehyde |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O2S |
| InChI |
InChI=1S/C21H26O2S/c1-20(2)10-16-18(11-20)21(3)9-14(17(12-22)19(16)23-21)13-24-15-7-5-4-6-8-15/h4-8,12,16,18-19H,9-11,13H2,1-3H3/t16?,18-,19-,21-/m0/s1 |
| InChIKey |
QBOFRQIVVBKJQA-ZRTMLZEBSA-N |
| Molecular Weight |
342.497 g/mol |
| SMILES |
[C@]12(O[C@](C)([C@@]3(C2CC(C)(C)C3)[H])CC(=C1C=O)CSc1ccccc1)[H] |
| SPLASH |
splash10-001l-0292000000-6e11846fc8a13acb6696 |
| Source of Spectrum |
J-63-128-22 |
| Synonyms |
(1R,2S,7R)-1,4,4-trimethyl-9-[(phenylsulfanyl)methyl]-11-oxatricyclo[5.3.1.0(2,6)]undec-8-ene-8-carbaldehyde |
| Wiley ID |
1336781 |
![(3.alpha.,4.beta.,8.beta.,8a.alpha.)-(+-)-1,2,3,3a,4,7,8,8a-Octahydro-2,2,8-trimethyl-6-[(phenylthio)methyl]-4,8-epoxyazulen-5-carboxaldehyde](/api/spectrum/9PpMO6d4teE/structure.png?h=300&w=458 "(3.alpha.,4.beta.,8.beta.,8a.alpha.)-(+-)-1,2,3,3a,4,7,8,8a-Octahydro-2,2,8-trimethyl-6-[(phenylthio)methyl]-4,8-epoxyazulen-5-carboxaldehyde")
