| SpectraBase Spectrum ID |
1XpR7uZV4Xt |
| Name |
2H-1-Benzopyran-3,5,7-triol, 2-[3,4-bis(acetyloxy)phenyl]-8-bromo-3,4-dihydro-, triacetate, (2R-trans)- |
| CAS Registry Number |
81410-23-3 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H23BrO11 |
| InChI |
InChI=1S/C25H23BrO11/c1-11(27)32-18-7-6-16(8-20(18)34-13(3)29)24-22(36-15(5)31)9-17-19(33-12(2)28)10-21(35-14(4)30)23(26)25(17)37-24/h6-8,10,22,24H,9H2,1-5H3/t22-,24+/m0/s1 |
| InChIKey |
LJMMJROZMNKVPW-LADGPHEKSA-N |
| Molecular Weight |
579.352 g/mol |
| SMILES |
c12c(c(OC(=O)C)cc(c2Br)OC(=O)C)C[C@@]([C@](O1)(c1cc(OC(=O)C)c(cc1)OC(=O)C)[H])(OC(=O)C)[H] |
| SPLASH |
splash10-0uk9-0915600000-4372fce4b98ccbd3b84a |
| Source of Spectrum |
KC-1982-976-0 |
| Synonyms |
2-(acetyloxy)-4-[(2R,3S)-3,5,7-tris(acetyloxy)-8-bromo-3,4-dihydro-2H-chromen-2-yl]phenyl acetate
8-Bromo-3,3',4',5,7-penta-O-acetyl-(+)-Catechin |
| Wiley ID |
1408322 |
![2H-1-Benzopyran-3,5,7-triol, 2-[3,4-bis(acetyloxy)phenyl]-8-bromo-3,4-dihydro-, triacetate, (2R-trans)-](/api/spectrum/1XpR7uZV4Xt/structure.png?h=300&w=458 "2H-1-Benzopyran-3,5,7-triol, 2-[3,4-bis(acetyloxy)phenyl]-8-bromo-3,4-dihydro-, triacetate, (2R-trans)-")
