| SpectraBase Spectrum ID |
7PRi01LVe81 |
| Name |
1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl-2,4,6-D3)methyl]-, (R*,R*)- |
| Alternate Name(s) |
[2,2',4,4',6,6'-D(6)]enterodiol |
| CAS Registry Number |
104411-12-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H16D6O4 |
| InChI |
InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1/i3D,4D,5D,6D,9D,10D |
| InChIKey |
DWONJCNDULPHLV-CDXZYTGGSA-N |
| Molecular Weight |
308.407 g/mol |
| SMILES |
Oc1c(c(C[C@]([C@](CO)(Cc2c(c(O)c(cc2[2D])[2D])[2D])[H])(CO)[H])c(cc1[2D])[2D])[2D] |
| SPLASH |
splash10-03di-1900000000-57bf06e732757fea6ab7 |
| Source of Spectrum |
KC-1986-97-3 |
| Wiley ID |
1304855 |
![1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl-2,4,6-D3)methyl]-, (R*,R*)-](/api/spectrum/7PRi01LVe81/structure.png?h=300&w=458 "1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl-2,4,6-D3)methyl]-, (R*,R*)-")
