| SpectraBase Spectrum ID |
Epp5MAQaK31 |
| Name |
4-Deacetoxyl-12-O-deacetylclavulone III |
| Appearance |
Pale yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-3-4-5-6-9-12-16-21(24)17-15-19(22)18(21)13-10-7-8-11-14-20(23)25-2/h7,9-10,12-13,15,17,24H,3-6,8,11,14,16H2,1-2H3/b10-7+,12-9-,18-13+/t21-/m1/s1 |
| InChIKey |
AWZZJUDSRONIBA-OSSIYZHKSA-N |
| Instrument Name |
VG Quattro 5022 or JEOL JMS-SX 102 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030435a |
| Molecular Weight |
346.467 g/mol |
| Optical Rotation |
[a]D25 = +15 (c = 0.8, CH2Cl2) |
| Reported Formula |
C21H30O4 |
| SMILES |
O[C@]1(\C(C(C=C1)=O)=C\C=C\CCCC(OC)=O)C\C=C/CCCCC |
| SPLASH |
splash10-0006-9430000000-79ecdaf257b4f88e3f7d |
| Source of Spectrum |
G4-67-545-6 |
| Wiley ID |
1881718 |
