| SpectraBase Spectrum ID |
13JH3cNnzbp |
| Name |
1,3-Benzodioxole-5-butanoic acid, .alpha.-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-, methyl ester, (R*,R*)-(.+-.)- |
| CAS Registry Number |
119046-38-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H26O8 |
| InChI |
InChI=1S/C22H26O8/c1-25-18-10-14(11-19(26-2)21(18)27-3)20(23)15(22(24)28-4)7-5-13-6-8-16-17(9-13)30-12-29-16/h6,8-11,15,20,23H,5,7,12H2,1-4H3/t15-,20+/m1/s1 |
| InChIKey |
VBBCHFPJNMQVEO-QRWLVFNGSA-N |
| Molecular Weight |
418.442 g/mol |
| SMILES |
O[C@@](c1cc(OC)c(c(c1)OC)OC)([C@](C(=O)OC)(CCc1cc2OCOc2cc1)[H])[H] |
| SPLASH |
splash10-000b-1900000000-ca7ee8ec8b826608e92b |
| Source of Spectrum |
B-41-917-59 |
| Synonyms |
(threo)-[methyl (7'.beta.,8'.beta.)-7'-hydroxy-3',4',5'-trimethoxy-3,4-methylenedioxy-9-norlignan-9'-oate]
Methyl (2R)-4-(1,3-benzodioxol-5-yl)-2-[(R)-hydroxy(3,4,5-trimethoxyphenyl)methyl]butanoate |
| Wiley ID |
1377139 |
![1,3-Benzodioxole-5-butanoic acid, .alpha.-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-, methyl ester, (R*,R*)-(.+-.)-](/api/spectrum/13JH3cNnzbp/structure.png?h=300&w=458 "1,3-Benzodioxole-5-butanoic acid, .alpha.-[hydroxy(3,4,5-trimethoxyphenyl)methyl]-, methyl ester, (R*,R*)-(.+-.)-")
