| SpectraBase Spectrum ID |
k2qvEfuCxH |
| Name |
Bruceantin |
| CAS Registry Number |
41451-75-6 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O11 |
| InChI |
InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,13-14,16,19-23,32-33H,8-10H2,1-6H3/b12-7+ |
| InChIKey |
KMCZIPGKKBSLEX-KPKJPENVSA-N |
| Molecular Weight |
548.585 g/mol |
| SMILES |
OC1C2(C3C4(C(C1O)C1(CC(C(C(C1CC4OC(C3OC(\C=C\(C(C)C)C)=O)=O)C)=O)=O)C)CO2)C(OC)=O |
| SPLASH |
splash10-03di-0900000000-4cd96ead75eff362e9c8 |
| Source of Spectrum |
J-46-1140-1 |
| Wiley ID |
1405423 |
