| SpectraBase Spectrum ID |
3mQzXNDGyT6 |
| Name |
(3E)-Dactomelyne |
| CAS Registry Number |
79373-29-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H20BrClO2 |
| InChI |
InChI=1S/C15H20BrClO2/c1-3-5-6-7-13-11(17)9-15-14(19-13)8-10(16)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5+/t10-,11+,12+,13+,14-,15-/m1/s1 |
| InChIKey |
NVMRARRBFWEZAC-WYYGJFKXSA-N |
| Molecular Weight |
347.680 g/mol |
| SMILES |
[C@]12(O[C@]([C@](C[C@]2(O[C@]([C@@](C1)(Br)[H])(CC)[H])[H])(Cl)[H])(C\C=C\C#C)[H])[H] |
| SPLASH |
splash10-00lr-4930000000-660d134d12879055d9f0 |
| Source of Spectrum |
J-46-5196-0 |
| Synonyms |
(2S,3R,4aR,6S,7S,8aR)-3-bromo-7-chloro-2-ethyl-6-[(2E)-2-penten-4-ynyl]octahydropyrano[3,2-b]pyran
(2S,3R,4aR,6S,7S,8aR)-3-bromanyl-7-chloranyl-2-ethyl-6-[(E)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran |
| Wiley ID |
1338964 |
