| SpectraBase Spectrum ID |
82iBRBbb4DB |
| Name |
(7S,8R)-5-keto-6-methylene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid |
| CAS Registry Number |
120090-82-6 |
| Comments |
Removed - expert review: contamination (chloroform)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20O8 |
| InChI |
InChI=1S/C22H20O8/c1-10-18(22(24)25)19(11-5-16(26-2)21(28-4)17(6-11)27-3)12-7-14-15(30-9-29-14)8-13(12)20(10)23/h5-8,18-19H,1,9H2,2-4H3,(H,24,25)/t18-,19-/m1/s1 |
| InChIKey |
HLSXUNBUCPHTDA-RTBURBONSA-N |
| Molecular Weight |
412.394 g/mol |
| SMILES |
OC([C@@]1(C(C(c2c(cc3c(c2)OCO3)[C@]1(c1cc(OC)c(c(c1)OC)OC)[H])=O)=C)[H])=O |
| SPLASH |
splash10-00m0-9502200000-af8459ec6ab232504deb |
| Source of Spectrum |
F-44-7259-1 |
| Synonyms |
(7S,8R)-6-methylene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
(7S,8R)-6-methylidene-5-oxidanylidene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
(7S,8R)-6-methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
Thuriferic acid |
| Wiley ID |
1374384 |
![(7S,8R)-5-keto-6-methylene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid](/api/spectrum/82iBRBbb4DB/structure.png?h=300&w=458 "(7S,8R)-5-keto-6-methylene-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid")
