| SpectraBase Spectrum ID |
9g0tHBfflhg |
| Name |
D-1,2-anhydro-3,4-di-O-acetyl-5,6-O-isopropyliden-alloinositol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O7 |
| InChI |
InChI=1S/C13H18O7/c1-5(14)16-7-8-10(18-8)12-11(9(7)17-6(2)15)19-13(3,4)20-12/h7-12H,1-4H3/t7-,8+,9-,10+,11+,12-/m0/s1 |
| InChIKey |
CHPVYFJZKVXXFT-FAFNCHIJSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201801424 |
| Molecular Weight |
286.280 g/mol |
| Optical Rotation |
(a)D21.5 = +57 (c = 0.93, MeOH) |
| Reported Formula |
C13H18O7 |
| SMILES |
[C@@]1([C@@]([C@@]2([C@]([C@]3([C@@]1(O3)[H])[H])(OC(O2)(C)C)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H] |
| SPLASH |
splash10-0ac0-1940000000-c7a2d3f72f9cbde3db3e |
| Source of Spectrum |
U1-2019-798-17 |
| Wiley ID |
1843687 |
