| SpectraBase Spectrum ID |
1HoeK0KBsSR |
| Name |
Hexadecanoic acid, 3-hydroxy-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(R*),3.alpha.,4.alpha.]]- |
| Alternate Name(s) |
(+)-(S)-Hexadecane-1,3-diol
(1S,2S,4R)-4,7,7-trimethyl-3-(1-naphthyl)bicyclo[2.2.1]hept-2-yl (3R)-3-hydroxyhexadecanoate |
| CAS Registry Number |
114634-27-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C36H54O3 |
| InChI |
InChI=1S/C36H54O3/c1-5-6-7-8-9-10-11-12-13-14-15-21-28(37)26-32(38)39-34-31-24-25-36(4,35(31,2)3)33(34)30-23-18-20-27-19-16-17-22-29(27)30/h16-20,22-23,28,31,33-34,37H,5-15,21,24-26H2,1-4H3/t28-,31-,33?,34+,36-/m1/s1 |
| InChIKey |
YWIHFGDONJOFMY-IENBJDOESA-N |
| Molecular Weight |
534.825 g/mol |
| SMILES |
O[C@@](CC(O[C@@]1(C([C@@]2(C([C@]1([H])CC2)(C)C)C)c1c2c(cccc2)ccc1)[H])=O)(CCCCCCCCCCCCC)[H] |
| SPLASH |
splash10-00di-0930000000-88a144e4d2a28d517b5e |
| Source of Spectrum |
J-53-2970-9 |
| Wiley ID |
1403903 |
![Hexadecanoic acid, 3-hydroxy-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(R*),3.alpha.,4.alpha.]]-](/api/spectrum/1HoeK0KBsSR/structure.png?h=300&w=458 "Hexadecanoic acid, 3-hydroxy-, 4,7,7-trimethyl-3-(1-naphthalenyl)bicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.alpha.(R*),3.alpha.,4.alpha.]]-")
