| SpectraBase Spectrum ID |
3Xb5pB07kDf |
| Name |
4-( O-Bromobenzoyl)-dihydroagistatine b |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H21BrO5 |
| InChI |
InChI=1S/C18H21BrO5/c1-2-10-7-8-13-18(21)14(9-15(22-13)24-16(10)18)23-17(20)11-5-3-4-6-12(11)19/h3-6,10,13-16,21H,2,7-9H2,1H3/t10-,13+,14+,15-,16-,18+/m1/s1 |
| InChIKey |
NUTMWBRLOCOACC-MCGMVPLWSA-N |
| Molecular Weight |
397.265 g/mol |
| SMILES |
O[C@]12[C@@]3(O[C@@](O[C@]2(CC[C@]3(CC)[H])[H])(C[C@@]1(OC(c1c(Br)cccc1)=O)[H])[H])[H] |
| SPLASH |
splash10-001j-0900000000-728ee3e0d701f734643c |
| Source of Spectrum |
U-1996-633-7 |
| Synonyms |
(1R,3R,4R,9S)-4-ethyl-8-hydroxy-2,11-dioxatricyclo[5.3.1.0(3,8)]undec-9-yl 2-bromobenzoate |
| Wiley ID |
768305 |
