| SpectraBase Spectrum ID |
JW9bZPxrhk5 |
| Name |
Nigrasin I |
| Appearance |
Yellow, amorphous powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H28O8 |
| InChI |
InChI=1S/C26H28O8/c1-13(2)6-5-9-26(3,31)20-12-16-15(7-8-17(28)23(16)34-20)24-25(32-4)22(30)21-18(29)10-14(27)11-19(21)33-24/h6-8,10-11,20,27-29,31H,5,9,12H2,1-4H3/t20-,26?/m0/s1 |
| InChIKey |
ZFZCFFNYBORJLD-DQUNLGLBSA-N |
| Instrument Name |
Agilent 5973N, VG Autospec-3000, Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np100907d |
| Molecular Weight |
468.502 g/mol |
| Optical Rotation |
[a]D25 = +57 (c = 0.3, acetone) |
| Reported Formula |
C26H28O8 |
| SMILES |
Oc1ccc(c2C[C@@](C(CCC=C(C)C)(O)C)(Oc12)[H])C=1Oc2cc(cc(c2C(C1OC)=O)O)O |
| SPLASH |
splash10-0006-2319100000-fdc8b09e3d6e696f1f76 |
| Source of Spectrum |
G4-74-SM47-10 |
| Wiley ID |
1852085 |
![NIGRASIN_J;2-[(2-S)-2,3-DIHYDRO-7-HYDROXY-2-(1-HYDROXY-1,5-DIMETHYL-4-HEXEN-1-YL)-4-BENZOFURANYL]-3-METHOXY-5,7-DIHYDROXY-4-H-1-](/api/spectrum/JW9bZPxrhk5/structure.png?h=300&w=458 "NIGRASIN_J;2-[(2-S)-2,3-DIHYDRO-7-HYDROXY-2-(1-HYDROXY-1,5-DIMETHYL-4-HEXEN-1-YL)-4-BENZOFURANYL]-3-METHOXY-5,7-DIHYDROXY-4-H-1-")
