| SpectraBase Spectrum ID |
97uyMRBS2fs |
| Name |
3.beta.-Acetoxy-9.beta.-angeloyloxy-1.beta.,10.beta.-epoxy-8.alpha.-hydroxyeremophil-7(11)-en-8.beta.(12)-olide |
| Appearance |
White columns |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O8 |
| InChI |
InChI=1S/C22H28O8/c1-7-10(2)17(24)28-19-21-16(29-21)8-15(27-13(5)23)12(4)20(21,6)9-14-11(3)18(25)30-22(14,19)26/h7,12,15-16,19,26H,8-9H2,1-6H3/b10-7-/t12-,15-,16+,19+,20+,21-,22-/m0/s1 |
| InChIKey |
GNNUZBCUYRDLNT-ROSJVHPRSA-N |
| Instrument Name |
HP-5988 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np010535l |
| Molecular Weight |
420.458 g/mol |
| Optical Rotation |
[a]D25 = -71 (c = 0.41, acetone) |
| Reported Formula |
C22H28O8 |
| SMILES |
O[C@@]12[C@@]([C@]34[C@@](C[C@@]([C@@]([C@]4(CC1=C(C(O2)=O)C)C)(C)[H])(OC(C)=O)[H])(O3)[H])(OC(\C(C)=C/C)=O)[H] |
| SPLASH |
splash10-03e9-7090000000-cf4fec16a10653582720 |
| Source of Spectrum |
G4-65-716-1 |
| Wiley ID |
1881129 |
