| SpectraBase Spectrum ID |
Jx5U1Rc8etZ |
| Name |
C5,C6-threo-4-(3,3-Dimethyl-2,4-dioxolanyl)-3-prop-2-enylhex-5-en-2-one isomer |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H28O5 |
| InChI |
InChI=1S/C17H28O5/c1-6-13(15-11-21-17(4,5)22-15)14(12(3)18)9-8-10-16(19)20-7-2/h6,13-15H,1,7-11H2,2-5H3/t13-,14+,15+/m0/s1 |
| InChIKey |
IANBZLNXPFQBHB-RRFJBIMHSA-N |
| Molecular Weight |
312.406 g/mol |
| SMILES |
C1(O[C@](CO1)([C@]([C@@](C(=O)C)(CCCC(=O)OCC)[H])(C=C)[H])[H])(C)C |
| SPLASH |
splash10-0udi-0900000000-bce991e350b232750ded |
| Source of Spectrum |
J-62-7664-11 |
| Synonyms |
(5S,6S)-5-Acetyl-6-((S)-2,2-dimethyl-[1,3]dioxolan-4-yl)-oct-7-enoic acid ethyl ester
(5S,6S)-5-acetyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-7-octenoic acid ethyl ester
ethyl (5S,6S)-5-acetyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oct-7-enoate
ethyl (5S,6S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-ethanoyl-oct-7-enoate |
| Wiley ID |
1313276 |
