| SpectraBase Spectrum ID |
1hqQ8u9NNs5 |
| Name |
Anisodine |
| Alternate Name(s) |
(4R)-9-methyl-3-oxa-9-azatricyclo[4.2.1.0(2,4)]non-4-yl 2,3-dihydroxy-2-phenylpropanoate
3-.alpha.-(2',3'-dihydroxy-2'-phenylpropionyloxy)-6-beta,7-.beta.-epoxytropane
Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester, (7(S)-(1-alpha,2-beta,4-beta,5-alpha,7-beta))-
Benzeneacetic acid, .alpha.-hydroxy-.alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))- |
| CAS Registry Number |
52646-92-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO5 |
| InChI |
InChI=1S/C17H21NO5/c1-18-12-7-11(8-13(18)15-14(12)23-15)22-16(20)17(21,9-19)10-5-3-2-4-6-10/h2-6,11-15,19,21H,7-9H2,1H3/t11-,12-,13-,14-,15+,17+/m1/s1 |
| InChIKey |
JEJREKXHLFEVHN-MMCSFCSJSA-N |
| Molecular Weight |
319.357 g/mol |
| SMILES |
O[C@](CO)(C(O[C@]1(C[C@]2(N(C)[C@@]([C@]3([C@@]2(O3)[H])[H])(C1)[H])[H])[H])=O)c1ccccc1 |
| SPLASH |
splash10-000l-6902000000-d88b4312e0c556a541d7 |
| Source of Spectrum |
CD-183-0-0 |
| Wiley ID |
1319324 |
