| SpectraBase Spectrum ID |
Ja3DXeFSsGp |
| Name |
Methyl (8E,13E)-ent-17-bromolabda-8(17),13-dien-15-oate |
| CAS Registry Number |
126569-91-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H33BrO2 |
| InChI |
InChI=1S/C21H33BrO2/c1-15(13-19(23)24-5)7-9-17-16(14-22)8-10-18-20(2,3)11-6-12-21(17,18)4/h13-14,17-18H,6-12H2,1-5H3/b15-13+,16-14+/t17-,18-,21+/m0/s1 |
| InChIKey |
BCTCJVJLZDIPPR-BJITYXFJSA-N |
| Molecular Weight |
397.397 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)CCC2)(CC\C([C@@]1(CC\C(=C\C(=O)OC)C)[H])=C/Br)[H])C |
| SPLASH |
splash10-000i-0903000000-dfcb49650e193cdb464c |
| Source of Spectrum |
B-42-577-39 |
| Synonyms |
Methyl (2E)-5-[(1R,2E,4aS,8aS)-2-(bromomethylene)-5,5,8a-trimethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate |
| Wiley ID |
1367426 |
