| SpectraBase Spectrum ID |
KH2BfP0nLIG |
| Name |
Bromoclavulone III |
| Appearance |
Pale yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29BrO4 |
| InChI |
InChI=1S/C21H29BrO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7+,12-9-,17-13+/t21-/m1/s1 |
| InChIKey |
SEUGRXZAXYVQIH-MNSXJSHLSA-N |
| Instrument Name |
VG Quattro 5022 or JEOL JMS-SX 102 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030435a |
| Molecular Weight |
425.363 g/mol |
| Optical Rotation |
[a]D25 = +39 (c = 0.38, CH2Cl2) |
| Reported Formula |
C21H29O4Br |
| SMILES |
O[C@]1(\C(C(C(=C1)Br)=O)=C\C=C\CCCC(OC)=O)C\C=C/CCCCC |
| SPLASH |
splash10-0a4i-9442000000-17d939d75aa460f9485f |
| Source of Spectrum |
G4-67-545-7 |
| Wiley ID |
1881719 |
