| SpectraBase Spectrum ID |
6HBFnczW8OZ |
| Name |
D-2-azido-1,3,4-tri-O-benzyl-2-deoxy-5,6-O-isopropyliden-neoinositol |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H33N3O5 |
| InChI |
InChI=1S/C30H33N3O5/c1-30(2)37-28-26(35-19-22-14-8-4-9-15-22)24(32-33-31)25(34-18-21-12-6-3-7-13-21)27(29(28)38-30)36-20-23-16-10-5-11-17-23/h3-17,24-29H,18-20H2,1-2H3/t24-,25+,26-,27-,28+,29-/m1/s1 |
| InChIKey |
KYLOWSHBXBWBNH-XBGOEWRMSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201801424 |
| Molecular Weight |
515.610 g/mol |
| Optical Rotation |
(a)D25.5 = +18 (c = 1.16, MeOH:AcOEt, 3:1) |
| Reported Formula |
C30H33N3O5 |
| SMILES |
[C@@]1(OCc2ccccc2)([C@@](N=[N+]=[N-])([C@@](OCc2ccccc2)([C@@]2(OC(C)(C)O[C@@]2([C@@]1(OCc1ccccc1)[H])[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0006-9000000000-5b41648566ba8c99889b |
| Source of Spectrum |
U1-2019-799-23 |
| Wiley ID |
1843693 |
