| SpectraBase Spectrum ID |
1GWqZ7S0InR |
| Name |
2H-1-Benzopyran-3,5,7-triol, 6,8-bis[[4-(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)-6,8-bis[4-(acetyloxy)benzyl]-3,4-dihydro-2H-chromen-2-yl}phenyl acetate
6,8-bis(p-acetoxybenzyl)-3,3',4',5,7-penta-O-acetyl-(+)-Catechin |
| CAS Registry Number |
82246-03-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C43H40O15 |
| InChI |
InChI=1S/C43H40O15/c1-22(44)51-32-13-8-29(9-14-32)18-34-41(56-27(6)49)35(19-30-10-15-33(16-11-30)52-23(2)45)43-36(42(34)57-28(7)50)21-39(55-26(5)48)40(58-43)31-12-17-37(53-24(3)46)38(20-31)54-25(4)47/h8-17,20,39-40H,18-19,21H2,1-7H3/t39-,40+/m0/s1 |
| InChIKey |
PVYQLJCURMNUDW-IOLBBIBUSA-N |
| Molecular Weight |
796.778 g/mol |
| SMILES |
c12c(c(OC(=O)C)c(c(c2Cc2ccc(OC(=O)C)cc2)OC(=O)C)Cc2ccc(OC(=O)C)cc2)C[C@@]([C@](O1)(c1cc(OC(=O)C)c(cc1)OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0002-0933000000-2fb11c2c8b427d3c152f |
| Source of Spectrum |
KC-1982-976-0 |
| Wiley ID |
1417115 |
![2H-1-Benzopyran-3,5,7-triol, 6,8-bis[[4-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4 -dihydro-, triacetate, (2R-trans)-](/api/spectrum/1GWqZ7S0InR/structure.png?h=300&w=458 "2H-1-Benzopyran-3,5,7-triol, 6,8-bis[[4-(acetyloxy)phenyl]methyl]-2-[3,4-bis(acetyloxy)phenyl]-3,4 -dihydro-, triacetate, (2R-trans)-")
