| SpectraBase Compound ID | 3vzZIKO2KBi |
|---|---|
| InChI | InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m0/s1 |
| InChIKey | ZDVZKBOFCHOPLM-SUNYJGFJSA-N |
| Mol Weight | 420.46 g/mol |
| Molecular Formula | C22H28O8 |
| Exact Mass | 420.178418 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KXYKb51Kl0z |
|---|---|
| Name | (+)-Lyoniresinol |
| Alternate Name(s) | (6R,7R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol (2R,3R,4S)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-2,3-bis(hydroxymethyl)-5,7-dimethoxy-tetralin-6-ol (6R,7R,8S)-8-(3,5-dimethoxy-4-oxidanyl-phenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H28O8 |
| InChI | InChI=1S/C22H28O8/c1-27-15-7-12(8-16(28-2)20(15)25)18-14(10-24)13(9-23)5-11-6-17(29-3)21(26)22(30-4)19(11)18/h6-8,13-14,18,23-26H,5,9-10H2,1-4H3/t13-,14-,18+/m0/s1 |
| InChIKey | ZDVZKBOFCHOPLM-SUNYJGFJSA-N |
| Molecular Weight | 420.458 g/mol |
| SMILES | Oc1c(cc([C@]2(c3c(C[C@@](CO)([C@@]2(CO)[H])[H])cc(c(c3OC)O)OC)[H])cc1OC)OC |
| SPLASH | splash10-0a4i-9000000000-c2e1429df2502ca32c8c |
| Source of Spectrum | E1-40-2644-6 |
| Wiley ID | 1519767 |