| SpectraBase Spectrum ID |
7aT3rfO0DQV |
| Name |
Methyl (R)-4-O-Benzoyl-6-C-bromo-2,3-C-(but-2-ene-1,4-diyl)-3,6-dideoxy-.alpha.,D-glucopyranoside |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21BrO5 |
| InChI |
InChI=1S/C18H21BrO5/c1-22-17-18(21)10-6-5-9-13(18)15(14(11-19)23-17)24-16(20)12-7-3-2-4-8-12/h2-8,13-15,17,21H,9-11H2,1H3/t13-,14+,15-,17-,18+/m0/s1 |
| InChIKey |
CXEZKMBQQKQBFJ-UXDQUXDASA-N |
| Molecular Weight |
397.265 g/mol |
| SMILES |
O[C@]12[C@]([C@](OC(=O)c3ccccc3)([C@](O[C@@]1(OC)[H])(CBr)[H])[H])(CC=CC2)[H] |
| SPLASH |
splash10-0a4i-0900000000-83cb19720f6d37576b11 |
| Source of Spectrum |
J-65-492-38 |
| Synonyms |
(1S,3S,4S,4aS,8aR)-3-(bromomethyl)-8a-hydroxy-1-methoxy-3,4,4a,5,8,8a-hexahydro-1H-2-benzopyran-4-yl benzoate |
| Wiley ID |
1532028 |
