| SpectraBase Spectrum ID |
DGud80A9HaE |
| Name |
1-Hydroxy-3-angeloyloxyeremophila-9,7(11)-dien-8-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-7-12(4)19(23)24-18-9-17(22)15-8-16(21)14(11(2)3)10-20(15,6)13(18)5/h7-8,13,17-18,22H,9-10H2,1-6H3/b12-7-/t13-,17+,18-,20+/m0/s1 |
| InChIKey |
JUCLLLHLIJXWKK-QIFLHGGXSA-N |
| Instrument Name |
JEOL JMS-AX505HA |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0203739 |
| Molecular Weight |
332.440 g/mol |
| Optical Rotation |
[a]D = +90 (c = 0.20, CHCl3) |
| Reported Formula |
C20H28O4 |
| SMILES |
O[C@@]1(C[C@@]([C@@]([C@@]2(C1=CC(C(C2)=C(C)C)=O)C)(C)[H])(OC(\C(C)=C/C)=O)[H])[H] |
| SPLASH |
splash10-001j-9733000000-29bdce66b68f58fe603e |
| Source of Spectrum |
G4-66-228-5 |
| Wiley ID |
1881228 |
