| SpectraBase Spectrum ID |
B4IiuV99TCy |
| Name |
(7R,8R)-threo-(E)-4,7-dihydroxy-9,9'-diisovaleroyloxy-3,3'-dimethoxy-70-en-8-O-4'-neolignan |
| Alternate Name(s) |
(E)-3-(4-(((1R,2R)-1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-((3-methylbutanoyl)oxy)propan-2-yl)oxy)-3-methoxyphenyl)allyl 3-methylbutanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H40O9 |
| InChI |
InChI=1S/C30H40O9/c1-19(2)14-28(32)37-13-7-8-21-9-12-24(26(16-21)36-6)39-27(18-38-29(33)15-20(3)4)30(34)22-10-11-23(31)25(17-22)35-5/h7-12,16-17,19-20,27,30-31,34H,13-15,18H2,1-6H3/b8-7+/t27-,30-/m1/s1 |
| InChIKey |
BNPCIGKUSXWQMX-FQTWUVKASA-N |
| Molecular Weight |
544.641 g/mol |
| SMILES |
O[C@](c1ccc(c(c1)OC)O)([C@](Oc1c(cc(cc1)\C=C\COC(=O)CC(C)C)OC)(COC(=O)CC(C)C)[H])[H] |
| SPLASH |
splash10-0a4u-9020000000-3eeaf3b94da164dad8a3 |
| Source of Spectrum |
Cai-Bin Xue, et al. Phytochemistry, V. 72, 2011, P.1804-1813 |
| Wiley ID |
1817436 |
