| SpectraBase Spectrum ID |
5kY0BwKpkp0 |
| Name |
(3aS,4R,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-3a,4,7,7atetrahydrobenzo[d][1,3]dioxole-4,7-diol |
| Appearance |
Clear colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.219888744 u |
| Formula |
C19H32O6 |
| InChI |
InChI=1S/C19H32O6/c1-18(2)24-17-14(20)11-12-15(21)19(17,25-18)13-9-7-5-6-8-10-16(22-3)23-4/h9,11-17,20-21H,5-8,10H2,1-4H3/b13-9-/t14-,15+,17+,19-/m0/s1 |
| InChIKey |
CDURBXKHJOMWTA-LYPSLYNISA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201601061 |
| Molecular Weight |
356.459 g/mol |
| Optical Rotation |
[a]D20 = +8.7 (c = 0.9, CHCl3) |
| Quality |
237 |
| Reported Formula |
C19H32O6 |
| SMILES |
O[C@]1(C=C[C@]([C@]2([C@@]1(OC(O2)(C)C)[H])\C=C/CCCCCC(OC)OC)(O)[H])[H] |
| SPLASH |
splash10-007c-2490000000-12460ccd7232a0fcbf43 |
| Source of Spectrum |
QE-22-SM16-19 (DOI: 10.1002/chem.201601061) |
| Thin-Layer Chromatography |
0.4 (hexanes/EtOAc, 1:1) |
| Wiley ID |
1903208 |
![(3aS,4R,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxole-4,7-diol](/api/spectrum/5kY0BwKpkp0/structure.png?h=300&w=458 "(3aS,4R,7S,7aR)-3a-((Z)-8,8-dimethoxyoct-1-en-1-yl)-2,2-dimethyl-3a,4,7,7a-tetrahydrobenzo[d][1,3]dioxole-4,7-diol")
