| SpectraBase Spectrum ID |
7eJ2pZk4Xdd |
| Name |
methyl (5R,6S)-5,6-dihydroxy-6-[(1S,2S)-2-[(2S)-2-hydroxypropanoyl]cyclopropyl]hexanoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O6 |
| InChI |
InChI=1S/C13H22O6/c1-7(14)12(17)8-6-9(8)13(18)10(15)4-3-5-11(16)19-2/h7-10,13-15,18H,3-6H2,1-2H3/t7-,8-,9-,10+,13-/m0/s1 |
| InChIKey |
WHELBUBXCZLTBL-CDTLJBMASA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np300740h |
| Molecular Weight |
274.313 g/mol |
| Optical Rotation |
[a]589 = +88.6, [a]578 = +92.9, [a]546 = +107.1, [a]436 = +207.1, [a]365 = +412.9 (c = 0.07, CHCl3) |
| SMILES |
O[C@@]([C@@]1([C@@](C([C@@](O)(C)[H])=O)(C1)[H])[H])([C@@](CCCC(=O)OC)(O)[H])[H] |
| SPLASH |
splash10-0f7k-9500000000-7e54e755c4c78bafbc92 |
| Source of Spectrum |
G4-76-77-13 |
| Wiley ID |
1854852 |
