| SpectraBase Spectrum ID |
6YV9vqL5HJL |
| Name |
Phellodensin-C |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H20O7 |
| InChI |
InChI=1S/C20H20O7/c1-20(2,25)14-7-11-13(26-14)8-12(22)15-16(23)17(24)18(27-19(11)15)9-3-5-10(21)6-4-9/h3-6,8,14,17-18,21-22,24-25H,7H2,1-2H3/t14?,17-,18+/m0/s1 |
| InChIKey |
LFOTZGWNITYXGY-CXRLMVSZSA-N |
| Instrument Name |
VG 70-250 S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030034v |
| Molecular Weight |
372.373 g/mol |
| Optical Rotation |
[a]D25 = -28.0 (c = 0.046, MeOH) |
| Reported Formula |
C20H20O7 |
| SMILES |
Oc1cc2c(c3c1C([C@@]([C@@](c1ccc(cc1)O)(O3)[H])(O)[H])=O)CC(O2)C(O)(C)C |
| SPLASH |
splash10-014i-0931000000-955efb21ccb5398d5399 |
| Source of Spectrum |
G4-66-1210-2 |
| Wiley ID |
1883972 |
