| SpectraBase Spectrum ID |
98oCiip0wOB |
| Name |
[(1S,2R,4aR,9aR)-1,7-bis(oxidanyl)-2-(phenylcarbonyloxy)-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate |
| Alternate Name(s) |
[(1S,2R,4aR,9aR)-2-benzoyloxy-1,7-dihydroxy-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H24O7 |
| InChI |
InChI=1S/C28H24O7/c29-21-11-12-23-20(15-21)16-22-25(30)24(34-27(32)19-9-5-2-6-10-19)13-14-28(22,35-23)17-33-26(31)18-7-3-1-4-8-18/h1-15,22,24-25,29-30H,16-17H2/t22-,24-,25+,28+/m1/s1 |
| InChIKey |
HWPZTWAKYXOVBI-HTFRYZPTSA-N |
| Molecular Weight |
472.493 g/mol |
| SMILES |
Oc1cc2c(O[C@]3([C@@]([C@@]([C@@](C=C3)(OC(=O)c3ccccc3)[H])(O)[H])(C2)[H])COC(=O)c2ccccc2)cc1 |
| SPLASH |
splash10-0a6r-1930100000-3088ccb6c7ec8ea39c67 |
| Source of Spectrum |
G4-61-449-5 |
| Wiley ID |
1607167 |
![[(1S,2R,4aR,9aR)-1,7-bis(oxidanyl)-2-(phenylcarbonyloxy)-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate](/api/spectrum/98oCiip0wOB/structure.png?h=300&w=458 "[(1S,2R,4aR,9aR)-1,7-bis(oxidanyl)-2-(phenylcarbonyloxy)-1,2,9,9a-tetrahydroxanthen-4a-yl]methyl benzoate")
