| SpectraBase Spectrum ID |
AvKgzhKL2DD |
| Name |
Benzoic acid, 4-hydroxy-, 2-(4,6,8-dodecatrienyloxy)-1-(hydroxymethyl)ethyl ester, [R-(E,E,E)]- |
| CAS Registry Number |
123231-45-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O5 |
| InChI |
InChI=1S/C22H30O5/c1-2-3-4-5-6-7-8-9-10-11-16-26-18-21(17-23)27-22(25)19-12-14-20(24)15-13-19/h4-9,12-15,21,23-24H,2-3,10-11,16-18H2,1H3/b5-4+,7-6+,9-8+/t21-/m1/s1 |
| InChIKey |
HDFSCPGSKMWCOJ-FCBZJVCJSA-N |
| Molecular Weight |
374.477 g/mol |
| SMILES |
OC[C@@](OC(c1ccc(cc1)O)=O)(COCCC\C=C\C=C\C=C\CCC)[H] |
| SPLASH |
splash10-00di-0900000000-9f0506d474125ac8638d |
| Source of Spectrum |
H-72-1124-1 |
| Synonyms |
(1R)-2-[(4E,6E,8E)-4,6,8-dodecatrienyloxy]-1-(hydroxymethyl)ethyl 4-hydroxybenzoate
1-[((4E,6E,8E)-dodeca-4,6,8-trienyl)oxy]-3-hydropropan-2yl 4-hydroxybenzoate
3-[{(4E,6E,8E)-dodeca-4,6,8-trienyl}oxy]-2-(4-hydroxybenzoyl)propan-1-ol
Bretonin A |
| Wiley ID |
1356758 |
![Benzoic acid, 4-hydroxy-, 2-(4,6,8-dodecatrienyloxy)-1-(hydroxymethyl)ethyl ester, [R-(E,E,E)]-](/api/spectrum/AvKgzhKL2DD/structure.png?h=300&w=458 "Benzoic acid, 4-hydroxy-, 2-(4,6,8-dodecatrienyloxy)-1-(hydroxymethyl)ethyl ester, [R-(E,E,E)]-")
