| SpectraBase Spectrum ID |
LhjNDY5JhxR |
| Name |
2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-propanoic Acid 3-Cyano-propyl Ester |
| Appearance |
Light-yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H31NO4 |
| InChI |
InChI=1S/C24H31NO4/c1-15-8-9-18-17(12-15)21-19(26)13-16(14-20(21)29-24(18,4)5)23(2,3)22(27)28-11-7-6-10-25/h8,13-14,17-18,26H,6-7,9,11-12H2,1-5H3/t17-,18-/m1/s1 |
| InChIKey |
PGSJGFYQNYPKOJ-QZTJIDSGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm501165d |
| Molecular Weight |
397.515 g/mol |
| SMILES |
Oc1cc(cc2OC([C@@]3(CC=C(C)C[C@]3(c12)[H])[H])(C)C)C(C(=O)OCCCC#N)(C)C |
| SPLASH |
splash10-03dn-1059000000-d0e0393104324f13f1d9 |
| Source of Spectrum |
AF-58-676-10a |
| Wiley ID |
1865522 |
![2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-propanoic Acid 3-Cyano-propyl Ester](/api/spectrum/LhjNDY5JhxR/structure.png?h=300&w=458 "2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methyl-propanoic Acid 3-Cyano-propyl Ester")
