| SpectraBase Spectrum ID |
LsXr5ly7tqM |
| Name |
Nigrasin H |
| Appearance |
Yellow, amorphous powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H26O6 |
| InChI |
InChI=1S/C25H26O6/c1-12(2)6-8-16-22(29)20-18(28)11-19-21(25(4,5)13(3)30-19)24(20)31-23(16)15-9-7-14(26)10-17(15)27/h6-7,9-11,13,26-28H,8H2,1-5H3/t13-/m1/s1 |
| InChIKey |
FJZJTEHPYMIMST-CYBMUJFWSA-N |
| Instrument Name |
Agilent 5973N, VG Autospec-3000, Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100907d |
| Molecular Weight |
422.477 g/mol |
| Optical Rotation |
[a]D25 = +13 (c = 0.6, acetone) |
| Reported Formula |
C25H26O6 |
| SMILES |
Oc1c(ccc(c1)O)C=1Oc2c3c(cc(c2C(C1CC=C(C)C)=O)O)O[C@@](C3(C)C)(C)[H] |
| SPLASH |
splash10-05i0-0217900000-d803b5221d1160caa8b2 |
| Source of Spectrum |
G4-74-SM39-8 |
| Wiley ID |
1852092 |
![NIGRASIN_H;(8-R*)-2-(2,4-DIHYDROXYPHENYL)-8,9-DIHYDRO-5-HYDROXY-8,9,9-TRIMETHYL-3-(3-METHYL-2-BUTEN-1-YL)-4-H-FURO-[2.3-H]](/api/spectrum/LsXr5ly7tqM/structure.png?h=300&w=458 "NIGRASIN_H;(8-R*)-2-(2,4-DIHYDROXYPHENYL)-8,9-DIHYDRO-5-HYDROXY-8,9,9-TRIMETHYL-3-(3-METHYL-2-BUTEN-1-YL)-4-H-FURO-[2.3-H]")
