| SpectraBase Spectrum ID |
J4vVTkeuxBo |
| Name |
8.beta.-(4'-acetoxyangelyloxy)-2.alpha.-hydroxy-6.beta.H,7.alpha.H-germacra-1(10)E,4E,11(13)-triene-6,12-olide |
| Alternate Name(s) |
Eupachinilide I |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O7 |
| InChI |
InChI=1S/C22H28O7/c1-12-8-17(24)9-13(2)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)14(3)6-7-27-16(5)23/h6,8,11,17-20,24H,4,7,9-10H2,1-3,5H3/b12-8+,13-11+,14-6-/t17-,18-,19-,20-/m1/s1 |
| InChIKey |
GHYQAZLCOXMXSD-RONZUUBFSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np0304159 |
| Molecular Weight |
404.459 g/mol |
| Optical Rotation |
[a]D20 = +76.1 (c = 0.65, CH3OH) |
| Reported Formula |
C22H28O7 |
| SMILES |
O[C@@]1(\C=C\(C[C@]([C@]2(C(C(O[C@@]2(\C=C\(C1)C)[H])=O)=C)[H])(OC(=O)\C(C)=C/COC(C)=O)[H])C)[H] |
| SPLASH |
splash10-0002-9220000000-b5760ef0d4cab16d731a |
| Source of Spectrum |
G4-67-643-9 |
| Wiley ID |
1881716 |
