| SpectraBase Spectrum ID |
bsoc3l6Yq |
| Name |
2.beta.-Hydroxyjatropholone |
| Appearance |
Yellow gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O3 |
| InChI |
InChI=1S/C20H24O3/c1-9-6-7-12-16(19(12,3)4)14-10(2)17(21)11-8-20(5,23)18(22)15(11)13(9)14/h12,16,21,23H,1,6-8H2,2-5H3/t12-,16-,20+/m1/s1 |
| InChIKey |
GXKSQESISBERSQ-RRBXVBTKSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900342b |
| Molecular Weight |
312.409 g/mol |
| Optical Rotation |
[a]D27 = +119.5 (c = 0.53, CHCl3) |
| Reported Formula |
C20H24O3 |
| SMILES |
O[C@@]1(C(c2c(c(c(c3c2C(CC[C@@]2([C@]3(C2(C)C)[H])[H])=C)C)O)C1)=O)C |
| SPLASH |
splash10-0k9j-0390000000-6bac696d7cd3ce01f98e |
| Source of Spectrum |
G4-72-2026-2 |
| Wiley ID |
1872079 |
