| SpectraBase Spectrum ID |
H7DNw0WJVmG |
| Name |
Brandisianin B |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H20O7 |
| InChI |
InChI=1S/C22H20O7/c1-10(2)16-6-12-18(29-16)8-15(24)20-21(25)13(9-28-22(12)20)11-5-19(27-4)14(23)7-17(11)26-3/h5,7-9,16,23-24H,1,6H2,2-4H3/t16-/m1/s1 |
| InChIKey |
VIMHZMOJYABXJB-MRXNPFEDSA-N |
| Instrument Name |
JEOL GC-Mate |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0703904 |
| Molecular Weight |
396.395 g/mol |
| Optical Rotation |
[a]D25 = -4.8 (c = 1.0, CHCl3) |
| Reported Formula |
C22H20O7 |
| SMILES |
Oc1cc2c(c3c1C(C(c1c(cc(c(c1)OC)O)OC)=CO3)=O)C[C@@](O2)(C(C)=C)[H] |
| SPLASH |
splash10-00kb-0219000000-6d3f18e00b12391a873a |
| Source of Spectrum |
G4-70-1913-2 |
| Wiley ID |
1874368 |
