| SpectraBase Spectrum ID |
BYxxwOxu5AI |
| Name |
Brasimarin C |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H24O5 |
| InChI |
InChI=1S/C25H24O5/c1-13(2)10-11-17-23(28)20-18(16-8-6-5-7-9-16)12-19(26)30-25(20)21-22(27)14(3)15(4)29-24(17)21/h5-10,12,14-15,28H,11H2,1-4H3/t14-,15-/m1/s1 |
| InChIKey |
ZJXOEBUGDGYYOO-HUUCEWRRSA-N |
| Instrument Name |
Hitachi M-80 or JEOL HX-110 or JEOL JMS-700 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0203640 |
| Molecular Weight |
404.462 g/mol |
| Optical Rotation |
[a]D = +8.9 (c = 0.135, MeOH) |
| Reported Formula |
C25H24O5 |
| SMILES |
Oc1c(c2O[C@@]([C@](C(c2c2c1C(=CC(O2)=O)c1ccccc1)=O)(C)[H])(C)[H])CC=C(C)C |
| SPLASH |
splash10-0kar-0019200000-0dfd5c40a2e5288b985b |
| Source of Spectrum |
G4-66-371-4 |
| Wiley ID |
1881258 |
