| SpectraBase Spectrum ID |
9mzhdTpd1Ai |
| Name |
(+-)-epideoxyfrenolicin |
| Alternate Name(s) |
[(1S,3R)-9-hydroxy-5,10-dioxo-1-propyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetic acid |
| CAS Registry Number |
99745-10-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-2-4-13-16-11(7-9(24-13)8-14(20)21)17(22)10-5-3-6-12(19)15(10)18(16)23/h3,5-6,9,13,19H,2,4,7-8H2,1H3,(H,20,21)/t9-,13+/m1/s1 |
| InChIKey |
XWXZEYLPRXYHQC-RNCFNFMXSA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
Oc1c2c(C(C3=C([C@@](O[C@@](CC(=O)O)(C3)[H])(CCC)[H])C2=O)=O)ccc1 |
| SPLASH |
splash10-01p6-0092000000-227eab45586033051b61 |
| Source of Spectrum |
J-51-358-55 |
| Wiley ID |
1327798 |
