| SpectraBase Spectrum ID |
HRhOtJg7Uvj |
| Name |
Enterodiol 4TMS |
| CAS Registry Number |
87182-52-3 |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
562.278616226 u |
| Formula |
C28H50O4Si4 |
| InChI |
InChI=1S/C28H50O4Si4/c1-33(2,3)29-25-17-13-15-23(19-25)21-27(31-35(7,8)9)28(32-36(10,11)12)22-24-16-14-18-26(20-24)30-34(4,5)6/h13-20,27-28H,21-22H2,1-12H3/t27-,28-/m1/s1 |
| InChIKey |
HEQUFGMECLZENE-VSGBNLITSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
563.044 g/mol |
| Nominal Mass |
562 u |
| Quality |
976 |
| Retention Index |
3907 |
| SMILES |
C=1(O[Si](C)(C)C)C=C(C=CC1)C[C@]([C@](O[Si](C)(C)C)(CC=1C=CC=C(O[Si](C)(C)C)C1)[H])(O[Si](C)(C)C)[H] |
| SPLASH |
splash10-001i-2951100000-e1a633069dc5a551b697 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(2R,3R)-2,3-Bis[(3-hydroxyphenyl)methyl]butane-1,4-diol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005531 |
