| SpectraBase Spectrum ID |
CTPr6SWIf2f |
| Name |
3.alpha.-Hydroxy-6.beta.-(3'-hydroxy-2'-methyl-3'-phenylpropionyloxy)-7.beta.-hydroxytropane |
| Appearance |
Light yellow amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H25NO5 |
| InChI |
InChI=1S/C18H25NO5/c1-10(15(21)11-6-4-3-5-7-11)18(23)24-17-14-9-12(20)8-13(16(17)22)19(14)2/h3-7,10,12-17,20-22H,8-9H2,1-2H3/t10?,12-,13-,14+,15?,16-,17+/m0/s1 |
| InChIKey |
IEXRHVYXLAVMKA-YBHASRMXSA-N |
| Instrument Name |
Varian MAT 312 double focusing |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010221y |
| Molecular Weight |
335.400 g/mol |
| Optical Rotation |
[a]D25 = -27.4 (c = 0.17, CHCl3) |
| Reported Formula |
C18H25NO5 |
| SMILES |
O[C@]1(C[C@@]2(N([C@@]([C@]([C@]2(O)[H])(OC(C(C)C(c2ccccc2)O)=O)[H])(C1)[H])C)[H])[H] |
| SPLASH |
splash10-0ab9-7900000000-f3abb169b79703d9c38b |
| Source of Spectrum |
G4-65-931-4 |
| Thin-Layer Chromatography |
Rf = 0.34 (ammonia vapor, CHCl3/MeOH, 96:4) |
| Wiley ID |
1883665 |
