| SpectraBase Spectrum ID |
1HL8I3Rgwh2 |
| Name |
3-Methyl-3-[3',4'-epoxyhexyl)-5-ethyl-6-[(methoxycarbonyl)methyl]-1,2-dioxacyclohexane |
| Alternate Name(s) |
{(2S,5R)-4-Ethyl-6-[(R)-2-((2S,3S)-3-ethyl-oxiranyl)-butyl]-6-(R)-methyl-[1,2]dioxan-3-yl}-acetic acid methyl ester
2-[(3R,4R,6S)-4-ethyl-6-[(2R)-2-[(2S,3S)-3-ethyl-2-oxiranyl]butyl]-6-methyl-3-dioxanyl]acetic acid methyl ester
methyl 2-[(3R,4R,6S)-4-ethyl-6-[(2R)-2-[(2S,3S)-3-ethyloxiran-2-yl]butyl]-6-methyldioxan-3-yl]acetate
methyl 2-[(3R,4R,6S)-4-ethyl-6-[(2R)-2-[(2S,3S)-3-ethyloxiran-2-yl]butyl]-6-methyl-dioxan-3-yl]acetate
methyl 2-[(3R,4R,6S)-4-ethyl-6-[(2R)-2-[(2S,3S)-3-ethyloxiran-2-yl]butyl]-6-methyl-1,2-dioxan-3-yl]ethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H32O5 |
| InChI |
InChI=1S/C18H32O5/c1-6-12-10-18(4,23-22-15(12)9-16(19)20-5)11-13(7-2)17-14(8-3)21-17/h12-15,17H,6-11H2,1-5H3/t12-,13-,14+,15-,17+,18-/m1/s1 |
| InChIKey |
KPVMKCWUJNQQCI-UXEFIGSDSA-N |
| Molecular Weight |
328.449 g/mol |
| SMILES |
[C@@]1(O[C@]1(CC)[H])([C@@](C[C@@]1(OO[C@](CC(=O)OC)([C@@](C1)(CC)[H])[H])C)(CC)[H])[H] |
| SPLASH |
splash10-03di-0009000000-0c4a23242c3b9caefc6d |
| Source of Spectrum |
AF-49-7093-12 |
| Wiley ID |
1694191 |
![3-Methyl-3-[3',4'-epoxyhexyl)-5-ethyl-6-[(methoxycarbonyl)methyl]-1,2-dioxacyclohexane](/api/spectrum/1HL8I3Rgwh2/structure.png?h=300&w=458 "3-Methyl-3-[3',4'-epoxyhexyl)-5-ethyl-6-[(methoxycarbonyl)methyl]-1,2-dioxacyclohexane")
