| SpectraBase Spectrum ID |
CaxC5rNF4Rm |
| Name |
1,7,11-cyclotetradecatriene-1-methanol, 3-hydroxy-7,11-dimethyl-4-(1-methylethenyl)-, .alpha.-benzoate, (1Z,3R*,4R*,7E,11E)-(+-)- |
| CAS Registry Number |
107171-97-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H36O3 |
| InChI |
InChI=1S/C27H36O3/c1-20(2)25-17-16-22(4)11-8-10-21(3)12-9-13-23(18-26(25)28)19-30-27(29)24-14-6-5-7-15-24/h5-7,11-12,14-15,18,25-26,28H,1,8-10,13,16-17,19H2,2-4H3/b21-12-,22-11-,23-18+/t25-,26-/m1/s1 |
| InChIKey |
IJVPTYBFUBVWKN-SUNQRFIDSA-N |
| Molecular Weight |
408.582 g/mol |
| SMILES |
O[C@@]1(\C=C\(COC(=O)c2ccccc2)CC\C=C/(CC\C=C/(CC[C@@]1(C(=C)C)[H])C)C)[H] |
| SPLASH |
splash10-059i-0900000000-e1a5f3e1c2eb35f78bcf |
| Source of Spectrum |
J-52-1808-30 |
| Synonyms |
[(3R,4R)-3-hydroxy-4-isopropenyl-7,11-dimethyl-1,7,11-cyclotetradecatrien-1-yl]methyl benzoate |
| Wiley ID |
1373153 |
