| SpectraBase Spectrum ID |
A8xHifhpMtg |
| Name |
(E)-5-[(1S,4ar,8ar)-2-Formyl-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid, tms ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.264500918 u |
| Formula |
C25H40O5Si |
| InChI |
InChI=1S/C25H40O5Si/c1-18(27)29-17-19(15-23(28)30-31(5,6)7)9-11-21-20(16-26)10-12-22-24(2,3)13-8-14-25(21,22)4/h10,15-16,21-22H,8-9,11-14,17H2,1-7H3/b19-15+/t21-,22-,25+/m1/s1 |
| InChIKey |
IYLLAHZKOIWMJX-OCCAWAAVSA-N |
| Molecular Weight |
448.675 g/mol |
| SMILES |
C1CC([C@]2(CC=C([C@]([C@@]2(C1)C)(CC\C(COC(C)=O)=C/C(O[Si](C)(C)C)=O)[H])C=O)[H])(C)C |
![(E)-5-[(1S,4ar,8ar)-2-Formyl-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid, tms ester](/api/spectrum/A8xHifhpMtg/structure.png?h=300&w=458 "(E)-5-[(1S,4ar,8ar)-2-Formyl-5,5,8A-trimethyl-1,4,4A,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid, tms ester")
