| SpectraBase Spectrum ID |
2nBjqaqJ5zS |
| Name |
(18S)-(3E,7E,11E)-20-Hydroxy-3,7,11,17,17-pentamethyl-17,18-dihydro[13](3,6)benzofuran-4,7-chinonophan-3,7,11-triene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.245709571 u |
| Formula |
C26H34O4 |
| InChI |
InChI=1S/C26H34O4/c1-16-8-6-10-17(2)12-14-19-22(27)24(29)21-20(15-13-18(3)11-7-9-16)26(4,5)30-25(21)23(19)28/h8,11-12,20,27H,6-7,9-10,13-15H2,1-5H3/b16-8+,17-12+,18-11+/t20-/m0/s1 |
| InChIKey |
HNZJHYHUUDPPHQ-YAYCPBPMSA-N |
| Molecular Weight |
410.554 g/mol |
| SMILES |
C1=2C(C(=C3C(C2OC([C@]1(CC\C(=C\CC\C(=C\CC\C(=C\C3)C)C)C)[H])(C)C)=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934531 |
benzofuran-4,7-chinonophan-3,7,11-triene](/api/spectrum/2nBjqaqJ5zS/structure.png?h=300&w=458 "(18S)-(3E,7E,11E)-20-Hydroxy-3,7,11,17,17-pentamethyl-17,18-dihydro[13](3,6)benzofuran-4,7-chinonophan-3,7,11-triene")
