| SpectraBase Spectrum ID |
174OXkjuiKJ |
| Name |
28,29-Epoxyplukenetione A |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H40O5 |
| InChI |
InChI=1S/C33H40O5/c1-19(2)14-16-31-18-22-23(25-30(7,8)38-25)32(26(31)35,17-15-20(3)4)28(37)33(27(31)36,29(22,5)6)24(34)21-12-10-9-11-13-21/h9-15,22-23,25H,16-18H2,1-8H3/t22?,23?,25?,31?,32?,33-/m1/s1 |
| InChIKey |
CVRGNVXISHMROR-WJGKHXKESA-N |
| Instrument Name |
Micromass VG 70-250S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np000321o |
| Molecular Weight |
516.678 g/mol |
| Optical Rotation |
[a]D = -4.4 (c = 0.98, CHCl3) |
| Reported Formula |
C33H40O5 |
| SMILES |
[C@@]12(C(C3(C(C(C2=O)(C(C(C1(C)C)C3)C1C(C)(C)O1)CC=C(C)C)=O)CC=C(C)C)=O)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a4i-7912200000-a081da8a30f861ff66f6 |
| Source of Spectrum |
G4-64-25-1 |
| Wiley ID |
1882786 |
