| SpectraBase Spectrum ID |
EPrXIff93Yc |
| Name |
(+)-(1S,4S,4ar,8as)-4-((3S)-3-hydroxy-3-methyl-4-pentenyl)-4A,8,8-trimethyl-3-methylenedecahydro-1-naphthalenyl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-8-21(6,24)13-10-17-15(2)14-18(25-16(3)23)19-20(4,5)11-9-12-22(17,19)7/h8,17-19,24H,1-2,9-14H2,3-7H3/t17-,18-,19-,21+,22+/m0/s1 |
| InChIKey |
WCNCDVQMEQJFGH-TZWCSUAMSA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
C(C)(=O)O[C@]1(CC([C@@]([C@]2(CCCC([C@]12[H])(C)C)C)(CC[C@](C=C)(C)O)[H])=C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878758 |
