| SpectraBase Spectrum ID |
Ah81OmHby2v |
| Name |
(+)-(2.zeta.,3S)-5-((1R,2R,4as,8as)-2-hydroxy-2,5,5,8A-tetramethyldecahydro-1-naphthylnyl)-3-methyl-1,2,3-pentanetriol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-17(2)9-6-10-18(3)14(17)7-11-19(4,23)15(18)8-12-20(5,24)16(22)13-21/h14-16,21-24H,6-13H2,1-5H3/t14-,15+,16?,18-,19+,20-/m0/s1 |
| InChIKey |
XNNLSNBPPDXLNX-FMSLRJNNSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)CCC2)(CC[C@]([C@@]1(CC[C@@](C(O)CO)(O)C)[H])(O)C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914987 |
