| SpectraBase Spectrum ID |
YANFbXUOJX |
| Name |
(1R,3R,4R)-3-[4-(1',1'-Dimethylheptyl)-2,6-dihydroxyphenyl]-1-(hydroxymethyl)-4-(2'-(3'-hydroxyprop-1'-enyl)]cyclohexane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H40O4 |
| InChI |
InChI=1S/C25H40O4/c1-5-6-7-8-11-25(3,4)19-13-22(28)24(23(29)14-19)21-12-18(16-27)9-10-20(21)17(2)15-26/h13-14,18,20-21,26-29H,2,5-12,15-16H2,1,3-4H3/t18-,20+,21-/m1/s1 |
| InChIKey |
NJGCYPGPXRDEMV-HLAWJBBLSA-N |
| Molecular Weight |
404.591 g/mol |
| SMILES |
OCC([C@]1([C@](c2c(cc(cc2O)C(CCCCCC)(C)C)O)(C[C@@](CC1)(CO)[H])[H])[H])=C |
| SPLASH |
splash10-006t-0293200000-4ae363471bf0614289e5 |
| Source of Spectrum |
F2-41-3603-24 |
| Synonyms |
2-[(1R,2R,5R)-5-(hydroxymethyl)-2-(3-hydroxyprop-1-en-2-yl)cyclohexyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol
5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-(hydroxymethyl)-2-[1-(hydroxymethyl)vinyl]cyclohexyl]benzene-1,3-diol
2-[(1R,2R,5R)-5-(hydroxymethyl)-2-(3-oxidanylprop-1-en-2-yl)cyclohexyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol |
| Wiley ID |
1599865 |
![(1R,3R,4R)-3-[4-(1',1'-Dimethylheptyl)-2,6-dihydroxyphenyl]-1-(hydroxymethyl)-4-(2'-(3'-hydroxyprop-1'-enyl)]cyclohexane](/api/spectrum/YANFbXUOJX/structure.png?h=300&w=458 "(1R,3R,4R)-3-[4-(1',1'-Dimethylheptyl)-2,6-dihydroxyphenyl]-1-(hydroxymethyl)-4-(2'-(3'-hydroxyprop-1'-enyl)]cyclohexane")
