| SpectraBase Spectrum ID |
BXFL8XJXBPj |
| Name |
[(1as,2ar,3S,5R,6S,7ar)-3-Acetyloxy-5-hydroxy-2A,7A-dimethyl-5-propan-2-yl-2,3,4,5A,6,7-hexahydro-1ah-azuleno[6,7-B]oxiren-6-yl] 4-hydroxybenzoate, tms derivative |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.254330156 u |
| Formula |
C27H40O7Si |
| InChI |
InChI=1S/C27H40O7Si/c1-16(2)27(30)15-21(31-17(3)28)25(4)14-22-26(5,33-22)13-20(23(25)27)32-24(29)18-9-11-19(12-10-18)34-35(6,7)8/h9-12,16,20-23,30H,13-15H2,1-8H3/t20-,21-,22-,23?,25-,26+,27+/m0/s1 |
| InChIKey |
CWRKGPUNACNOFG-GSKJHFJWSA-N |
| Molecular Weight |
504.695 g/mol |
| SMILES |
C(C1=CC=C(C=C1)O[Si](C)(C)C)(=O)O[C@]1(C[C@]2(O[C@]2(C[C@@]2(C1[C@@](C[C@@]2(OC(=O)C)[H])(C(C)C)O)C)[H])C)[H] |
![[(1as,2ar,3S,5R,6S,7ar)-3-Acetyloxy-5-hydroxy-2A,7A-dimethyl-5-propan-2-yl-2,3,4,5A,6,7-hexahydro-1ah-azuleno[6,7-B]oxiren-6-yl] 4-hydroxybenzoate, tms derivative](/api/spectrum/BXFL8XJXBPj/structure.png?h=300&w=458 "[(1as,2ar,3S,5R,6S,7ar)-3-Acetyloxy-5-hydroxy-2A,7A-dimethyl-5-propan-2-yl-2,3,4,5A,6,7-hexahydro-1ah-azuleno[6,7-B]oxiren-6-yl] 4-hydroxybenzoate, tms derivative")
