| SpectraBase Spectrum ID |
5xIMDDQCWXc |
| Name |
(3a.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 |
| Alternate Name(s) |
(1S,2R,6S,7S)-9-Benzenesulfinylmethyl-1,4,4-trimethyl-11-oxa-tricyclo[5.3.1.0*2,6*]undec-8-ene-8-carbaldehyde |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O3S |
| InChI |
InChI=1S/C21H26O3S/c1-20(2)10-16-18(11-20)21(3)9-14(17(12-22)19(16)24-21)13-25(23)15-7-5-4-6-8-15/h4-8,12,16,18-19H,9-11,13H2,1-3H3/t16-,18+,19-,21-,25?/m0/s1 |
| InChIKey |
XHERWPULODNVQZ-HRMMMMDWSA-N |
| Molecular Weight |
358.496 g/mol |
| SMILES |
[C@@]12(C(=C(CS(=O)c3ccccc3)C[C@@](O1)(C)[C@]1([C@@]2(CC(C)(C)C1)[H])[H])C=O)[H] |
| SPLASH |
splash10-053r-5190000000-db252335740016e575dd |
| Source of Spectrum |
J-63-128-23 |
| Wiley ID |
1347150 |
![(3a.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/5xIMDDQCWXc/structure.png?h=300&w=458 "(3a.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")
