| SpectraBase Spectrum ID |
8NDFktPBaF6 |
| Name |
Naphtho[2,1-B]furan-6-methanol, 3A-(1,3-dioxolan-2-yl)dodecahydro-6,9A-dimethyl-2-(phenylthio)-, [2S-(2.alpha.,3A.beta.,5A.alpha.,6.al pha.,9A.beta.,9B.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.217780745 u |
| Formula |
C24H34O4S |
| InChI |
InChI=1S/C24H34O4S/c1-22(16-25)10-6-11-23(2)18(22)9-12-24(21-26-13-14-27-21)19(23)15-20(28-24)29-17-7-4-3-5-8-17/h3-5,7-8,18-21,25H,6,9-16H2,1-2H3/t18-,19+,20-,22-,23-,24+/m0/s1 |
| InChIKey |
VJYLGXZDEYCFMB-MHLFWCDNSA-N |
| Molecular Weight |
418.592 g/mol |
| SMILES |
[C@]12([C@@]([C@]3(CCC[C@]([C@@]3(CC2)[H])(CO)C)C)(C[C@@](O1)(SC1=CC=CC=C1)[H])[H])C1OCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856979 |
![Naphtho[2,1-b]furan-6-methanol, 3a-(1,3-dioxolan-2-yl)dodecahydro-6,9a-dimethyl-2-(phenylthio)-, [2S-(2.alpha.,3a.beta.,5a.alpha.,6.al pha.,9a.beta.,9b.alpha.)]-](/api/spectrum/8NDFktPBaF6/structure.png?h=300&w=458 "Naphtho[2,1-b]furan-6-methanol, 3a-(1,3-dioxolan-2-yl)dodecahydro-6,9a-dimethyl-2-(phenylthio)-, [2S-(2.alpha.,3a.beta.,5a.alpha.,6.al pha.,9a.beta.,9b.alpha.)]-")
