| SpectraBase Spectrum ID |
B5aPD9cF5jk |
| Name |
(1S,4as)-(+)-trans-1.alpha.-[(2,5-dimethoxyphenyl)methyl]-1.beta.,4A.beta.-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-methyleneoctahydro-5-(6H)-naphthalenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.245709571 u |
| Formula |
C24H34O4 |
| InChI |
InChI=1S/C24H34O4/c1-17-10-12-23(3)21(7-6-11-24(23)27-13-14-28-24)22(17,2)16-18-15-19(25-4)8-9-20(18)26-5/h8-9,15,21H,1,6-7,10-14,16H2,2-5H3/t21-,22+,23-/m0/s1 |
| InChIKey |
HOLCDLGBMSPKSQ-ZRBLBEILSA-N |
| Molecular Weight |
386.532 g/mol |
| SMILES |
[C@]1([C@]2([C@](C3(OCCO3)CCC2)(C)CCC1=C)[H])(CC=1C(=CC=C(C1)OC)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847272 |
![(1S,4as)-(+)-trans-1.alpha.-[(2,5-dimethoxyphenyl)methyl]-1.beta.,4A.beta.-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-methyleneoctahydro-5-(6H)-naphthalenone](/api/spectrum/B5aPD9cF5jk/structure.png?h=300&w=458 "(1S,4as)-(+)-trans-1.alpha.-[(2,5-dimethoxyphenyl)methyl]-1.beta.,4A.beta.-dimethyl-5-(2-methyl-1,3-dioxolan-2-yl)-2-methyleneoctahydro-5-(6H)-naphthalenone")
