| SpectraBase Spectrum ID |
27VqQZgcuyI |
| Name |
1(10)E-(3S,4R,5R,7S,8S)-14-Acetyloxy-3,4-epoxy-5-hydroxy-15-isovaleroyloxygermacra-1(10),11(13)-dien-8,12-olide |
| Appearance |
gum |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O8 |
| InChI |
InChI=1S/C22H30O8/c1-12(2)8-18(24)28-11-22-17(30-22)7-5-6-15(10-27-14(4)23)9-16-19(20(22)25)13(3)21(26)29-16/h6,12,16-17,19-20,25H,3,5,7-11H2,1-2,4H3/b15-6-/t16-,17-,19+,20-,22-/m0/s1 |
| InChIKey |
VHJUOVUNHWIRND-UOWKLRBGSA-N |
| Instrument Name |
Hewlett-Packard 5989A or Varian Saturn 2000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030055p |
| Molecular Weight |
422.474 g/mol |
| Optical Rotation |
[a]D26 = +52 (c = 0.52, CHCl3) (589 nm) |
| Reported Formula |
C22H30O8 |
| SMILES |
O[C@]1([C@]2([C@](C\C(=C\CC[C@]3([C@@]1(O3)COC(CC(C)C)=O)[H])COC(C)=O)(OC(C2=C)=O)[H])[H])[H] |
| SPLASH |
splash10-0a4r-9010000000-ecd0f330cd163fca2c3b |
| Source of Spectrum |
G4-66-953-2 |
| Wiley ID |
1881442 |
