| SpectraBase Spectrum ID |
G84p163gLED |
| Name |
5,8-Metheno-1,3-dioxole[4,5-h][2]-benzoxepen-11-carboxylic acid-5,7,8,9-tetrahydro-7-oxo-9-(3,4,5-trimethoxyphenyl) 5R[5.alpha.,8.alpha.,9.beta.,11S*] |
| Alternate Name(s) |
(1S,11S,12S,15S)-13-oxo-11-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.0(2,10).0(4,8)]pentadeca-2(10),3,8-triene-15-carboxylic acid |
| CAS Registry Number |
138234-56-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20O9 |
| InChI |
InChI=1S/C22H20O9/c1-26-14-4-9(5-15(27-2)20(14)28-3)16-10-6-12-13(30-8-29-12)7-11(10)19-18(21(23)24)17(16)22(25)31-19/h4-7,16-19H,8H2,1-3H3,(H,23,24)/t16-,17+,18-,19-/m0/s1 |
| InChIKey |
ULLLFUMHAJRQRY-RDGPPVDQSA-N |
| Molecular Weight |
428.393 g/mol |
| SMILES |
OC([C@@]1([C@@]2(c3cc4OCOc4cc3[C@@]([C@]1(C(=O)O2)[H])(c1cc(OC)c(c(c1)OC)OC)[H])[H])[H])=O |
| SPLASH |
splash10-01c0-9004000000-27ab9d573c1ff34f35d0 |
| Source of Spectrum |
J-57-1516-11 |
| Wiley ID |
1380631 |
![5,8-Metheno-1,3-dioxole[4,5-h][2]-benzoxepen-11-carboxylic acid-5,7,8,9-tetrahydro-7-oxo-9-(3,4,5-trimethoxyphenyl) 5R[5.alpha.,8.alpha.,9.beta.,11S*]](/api/spectrum/G84p163gLED/structure.png?h=300&w=458 "5,8-Metheno-1,3-dioxole[4,5-h][2]-benzoxepen-11-carboxylic acid-5,7,8,9-tetrahydro-7-oxo-9-(3,4,5-trimethoxyphenyl) 5R[5.alpha.,8.alpha.,9.beta.,11S*]")
