| SpectraBase Spectrum ID |
GCETRVxvYil |
| Name |
(+)-(1S,4S,4ar,8as)-4-((3S)-3-hydroxy-3-methyl-4-pentenyl)-4A,8,8-trimethyl-3-spiro-2'-oxirandecahydro-1-naphthalenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.250794952 u |
| Formula |
C20H34O3 |
| InChI |
InChI=1S/C20H34O3/c1-6-18(4,22)10-11-19(5)14-8-7-9-17(2,3)16(14)15(21)12-20(19)13-23-20/h6,14-16,21-22H,1,7-13H2,2-5H3/t14-,15-,16+,18+,19+,20?/m0/s1 |
| InChIKey |
MRQHDCBTDSACFG-KBHOOQENSA-N |
| Molecular Weight |
322.489 g/mol |
| SMILES |
C12([C@@]([C@]3(CCCC([C@]3([C@](C2)(O)[H])[H])(C)C)[H])(CC[C@@](C=C)(O)C)C)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959703 |
