| SpectraBase Spectrum ID |
2eo4Tg6rQ2h |
| Name |
Phellodensin-A |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H18O6 |
| InChI |
InChI=1S/C20H18O6/c1-9(2)14-7-12-15(25-14)8-13(22)16-17(23)18(24)19(26-20(12)16)10-3-5-11(21)6-4-10/h3-6,8,14,18-19,21-22,24H,1,7H2,2H3/t14-,18+,19-/m1/s1 |
| InChIKey |
BXJXKUVJTJKXQK-MDASCCDHSA-N |
| Instrument Name |
VG 70-250 S |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np030034v |
| Molecular Weight |
354.358 g/mol |
| Optical Rotation |
[a]D25 = -18.8 (c = 0.06, MeOH) |
| Reported Formula |
C20H18O6 |
| SMILES |
Oc1cc2c(c3O[C@](c4ccc(cc4)O)([C@](C(c13)=O)(O)[H])[H])C[C@@](O2)(C(C)=C)[H] |
| SPLASH |
splash10-0gb9-0819000000-2f4c45bae30e64773a81 |
| Source of Spectrum |
G4-66-1210-1 |
| Wiley ID |
1883971 |
