SpectraBase Spectrum ID |
GTFC71xb4i1 |
Name |
Nigrasin E |
Appearance |
Yellowish oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C25H24O7 |
InChI |
InChI=1S/C25H24O7/c1-12(2)7-8-24-16-6-5-14(26)9-20(16)31-25(24,29)23(28)21-17(27)11-19-15(22(21)32-24)10-18(30-19)13(3)4/h5-7,9,11,18,26-27,29H,3,8,10H2,1-2,4H3/t18-,24-,25-/m1/s1 |
InChIKey |
HUMOTOGWFSSVMP-ZYKLXPEUSA-N |
Instrument Name |
Agilent 5973N, VG Autospec-3000, Finnigan MAT 95 |
Ionization Type |
EI |
Literature Reference DOI |
10.1021/np100907d |
Molecular Weight |
436.460 g/mol |
Optical Rotation |
[a]D25 = +86 (c = 0.6, acetone) |
Reported Formula |
C25H24O7 |
SMILES |
Oc1ccc2c(O[C@]3([C@@]2(Oc2c(c(cc4c2C[C@@](O4)(C(C)=C)[H])O)C3=O)CC=C(C)C)O)c1 |
SPLASH |
splash10-014i-0029000000-bbf9463c8cc065578737 |
Source of Spectrum |
G4-74-SM24-5 |
Wiley ID |
1852090 |