| SpectraBase Spectrum ID |
22CxjpFddQ |
| Name |
1-Acetoxy-2,4-dihydroxy-8-angeloyloxybisabola-1,3,5,7(14),10(11)-pentaene |
| Appearance |
Colorless blocks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O6 |
| InChI |
InChI=1S/C22H28O6/c1-8-13(4)22(26)28-19(10-9-12(2)3)14(5)17-11-18(24)15(6)20(25)21(17)27-16(7)23/h8-9,11,19,24-25H,5,10H2,1-4,6-7H3/b13-8- |
| InChIKey |
XMZPTCCLQHPTRA-JYRVWZFOSA-N |
| Instrument Name |
HP5989A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np900489h |
| Molecular Weight |
388.460 g/mol |
| Optical Rotation |
[a]D22 = +129 (c = 0.3, MeOH) |
| Reported Formula |
C22H28O6 |
| SMILES |
Oc1cc(c(c(c1C)O)OC(C)=O)C(=C)C(OC(\C(C)=C/C)=O)CC=C(C)C |
| SPLASH |
splash10-004j-0980000000-bc52fdab3a82f5fe92ba |
| Source of Spectrum |
G4-73-142-1 |
| Wiley ID |
1846404 |
