| SpectraBase Spectrum ID |
4I8obyf3Cpe |
| Name |
2-Pentenoic acid, 5-(3-bromodecahydro-5,5,8a-trimethyl-2-oxo-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),3.beta.,4a.beta.,8a.alpha.]]- |
| CAS Registry Number |
126569-82-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H31BrO3 |
| InChI |
InChI=1S/C20H31BrO3/c1-13(11-17(22)24-5)7-8-14-18(23)15(21)12-16-19(2,3)9-6-10-20(14,16)4/h11,14-16H,6-10,12H2,1-5H3/b13-11+/t14?,15-,16?,20?/m0/s1 |
| InChIKey |
DZXIKMMLQVAXCH-MHSJKWGMSA-N |
| Molecular Weight |
399.369 g/mol |
| SMILES |
C12(C(C(=O)[C@](CC2C(C)(C)CCC1)(Br)[H])CC\C(=C\C(=O)OC)C)C |
| SPLASH |
splash10-0002-9035000000-da3d188c30ee1b2e00ff |
| Source of Spectrum |
B-42-577-42 |
| Synonyms |
(3S)-1-(4'-methoxycarbonyl-3'-methylbut-3'-enyl)-3-bromo-5,5,8a-trimethyl-perhydronaphthalen-2-one
Methyl (2E)-5-[(3S)-3-bromo-5,5,8a-trimethyl-2-oxodecahydro-1-naphthalenyl]-3-methyl-2-pentenoate |
| Wiley ID |
1368310 |
![2-Pentenoic acid, 5-(3-bromodecahydro-5,5,8a-trimethyl-2-oxo-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),3.beta.,4a.beta.,8a.alpha.]]-](/api/spectrum/4I8obyf3Cpe/structure.png?h=300&w=458 "2-Pentenoic acid, 5-(3-bromodecahydro-5,5,8a-trimethyl-2-oxo-1-naphthalenyl)-3-methyl-, methyl ester, [1S-[1.alpha.(E),3.beta.,4a.beta.,8a.alpha.]]-")
