| SpectraBase Spectrum ID |
9LFPDuOsdyj |
| Name |
(+-)-5A.beta.,8,8,11A.beta.-tetramethyl-3.alpha.-(2-propenyl)-7A.alpha.H,11B.alpha.H-tetradecahydronaphth[2,1-B]oxepin-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-6-8-15-9-10-17-20(4)13-7-12-19(2,3)16(20)11-14-21(17,5)23-18(15)22/h6,15-17H,1,7-14H2,2-5H3/t15-,16?,17?,20-,21+/m1/s1 |
| InChIKey |
GZDOQNMLQBKKKU-AISDFVBMSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
[C@@]12(C3[C@](OC(=O)[C@@](CC3)(CC=C)[H])(C)CCC1C(C)(C)CCC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834378 |
![(+-)-5a.beta.,8,8,11a.beta.-tetramethyl-3.alpha.-(2-propenyl)-7a.alpha.H,11b.alpha.H-tetradecahydronaphth[2,1-b]oxepin-4-one](/api/spectrum/9LFPDuOsdyj/structure.png?h=300&w=458 "(+-)-5a.beta.,8,8,11a.beta.-tetramethyl-3.alpha.-(2-propenyl)-7a.alpha.H,11b.alpha.H-tetradecahydronaphth[2,1-b]oxepin-4-one")
