| SpectraBase Compound ID | GMJBQFAygTH |
|---|---|
| InChI | InChI=1S/2C26H34O6/c2*1-23(2)17-12-19(29)26(5)16(25(17,4)9-7-18(23)28)6-8-24(3)14(11-15(27)21(24)26)13-10-20(30)32-22(13)31/h2*7,9-10,14,16-17,19-21,29-30H,6,8,11-12H2,1-5H3/t2*14-,16?,17?,19+,20?,21?,24-,25+,26-/m00/s1 |
| InChIKey | KONBTCPWYVARPC-GQCGEQCUSA-N |
| Mol Weight | 885.1 g/mol |
| Molecular Formula | C52H68O12 |
| Exact Mass | 884.471078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lgcpc0nWv7C |
|---|---|
| Name | 7-DEACETYL-23-HYDROXYNEOTRICHILENONELIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H68O12 |
| InChI | InChI=1S/2C26H34O6/c2*1-23(2)17-12-19(29)26(5)16(25(17,4)9-7-18(23)28)6-8-24(3)14(11-15(27)21(24)26)13-10-20(30)32-22(13)31/h2*7,9-10,14,16-17,19-21,29-30H,6,8,11-12H2,1-5H3/t2*14-,16?,17?,19+,20?,21?,24-,25+,26-/m00/s1 |
| InChIKey | KONBTCPWYVARPC-GQCGEQCUSA-N |
| Literature Reference Author | D.A.G.CORTEZ,J.B.FERNANDES,P.C.VIERIA,M.F.D.G.F.D.SILVA,A.G. FERREIRA,Q.B.CASS,J. |
| Literature Reference Citation | PHYTOCHEM.,49,2493(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00234-9 |
| Molecular Weight | 885.105 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1103 |