| SpectraBase Spectrum ID |
9aKkR33MYG8 |
| Name |
(1S,8as.2'R)-2',3'-o-Bisacetylglycerol 2,5,5,8A-tetramethyl-1,4,5,6,7,8-hexahydronaphthalene-1-carboxylate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.245709571 u |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-14-8-9-16-19(2,3)10-7-11-21(16,6)17(14)18(22)23-12-15-13-24-20(4,5)25-15/h8,15-17H,7,9-13H2,1-6H3/t15-,16?,17-,21+/m1/s1 |
| InChIKey |
WCHDBBNRIQGHOV-BRZGIBKSSA-N |
| Molecular Weight |
350.499 g/mol |
| SMILES |
[C@]12([C@@](C(OC[C@]3(OC(C)(C)OC3)[H])=O)(C(C)=CCC1C(C)(C)CCC2)[H])C |
