| SpectraBase Spectrum ID |
yErm47aR5W |
| Name |
7-Deoxysterigmatocystin |
| Appearance |
Pale yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H12O5 |
| InChI |
InChI=1S/C18H12O5/c1-20-12-8-13-14(10-6-7-21-18(10)23-13)17-15(12)16(19)9-4-2-3-5-11(9)22-17/h2-8,10,18H,1H3/t10-,18+/m0/s1 |
| InChIKey |
BRGIZYRNCWHMPV-XTZNXHDOSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np020295p |
| Molecular Weight |
308.289 g/mol |
| Optical Rotation |
[a]D = -184 (c = 0.1 mg/ml, acetone) |
| SMILES |
c1cc2c(cc1)Oc1c(C2=O)c(cc2c1[C@]1([C@@](O2)(OC=C1)[H])[H])OC |
| SPLASH |
splash10-056r-0193000000-68f55b920111dac491a2 |
| Source of Spectrum |
G4-65-1737-3 |
| Wiley ID |
1883517 |
