| SpectraBase Spectrum ID |
9TXhHXTZsaX |
| Name |
2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]acetic Acid 4-Cyano-butyl Ester |
| Appearance |
Light yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H29NO4 |
| InChI |
InChI=1S/C23H29NO4/c1-15-7-8-18-17(11-15)22-19(25)12-16(13-20(22)28-23(18,2)3)14-21(26)27-10-6-4-5-9-24/h7,12-13,17-18,25H,4-6,8,10-11,14H2,1-3H3/t17-,18-/m1/s1 |
| InChIKey |
PILCYBQINBJYBH-QZTJIDSGSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm501165d |
| Molecular Weight |
383.488 g/mol |
| SMILES |
Oc1cc(cc2OC([C@@]3(CC=C(C)C[C@]3(c12)[H])[H])(C)C)CC(=O)OCCCCC#N |
| SPLASH |
splash10-0api-9023000000-11e14df4e942f3dd5869 |
| Source of Spectrum |
AF-58-675-7a |
| Wiley ID |
1865527 |
![2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]acetic Acid 4-Cyano-butyl Ester](/api/spectrum/9TXhHXTZsaX/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]acetic Acid 4-Cyano-butyl Ester")
