| SpectraBase Spectrum ID |
5aQcwq5gdbQ |
| Name |
2H-1-Benzopyran-3,5,7-triol, 6-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)- |
| Alternate Name(s) |
2-(acetyloxy)-4-{(2R,3S)-3,5,7-tris(acetyloxy)-6-[2-(acetyloxy)benzyl]-3,4-dihydro-2H-chromen-2-yl}phenyl acetate
6-(o-acetoxybenzyl)-3,3',4',5,7-penta-O-acetyl-(+)-Catechin |
| CAS Registry Number |
81410-27-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H32O13 |
| InChI |
InChI=1S/C34H32O13/c1-17(35)41-27-10-8-7-9-23(27)13-25-29(43-19(3)37)16-30-26(34(25)46-22(6)40)15-32(45-21(5)39)33(47-30)24-11-12-28(42-18(2)36)31(14-24)44-20(4)38/h7-12,14,16,32-33H,13,15H2,1-6H3/t32-,33+/m0/s1 |
| InChIKey |
LQQMEQVCAUFQGU-JHOUSYSJSA-N |
| Molecular Weight |
648.617 g/mol |
| SMILES |
c12c(c(Cc3c(OC(=O)C)cccc3)c(cc1O[C@@]([C@](C2)(OC(=O)C)[H])(c1cc(OC(=O)C)c(cc1)OC(=O)C)[H])OC(=O)C)OC(=O)C |
| SPLASH |
splash10-004i-0900130000-029290730ac5e1a3bc57 |
| Source of Spectrum |
KC-1982-977-0 |
| Wiley ID |
1413009 |
![2H-1-Benzopyran-3,5,7-triol, 6-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-](/api/spectrum/5aQcwq5gdbQ/structure.png?h=300&w=458 "2H-1-Benzopyran-3,5,7-triol, 6-[[2-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4-dihydro-, triacetate, (2R-trans)-")
