| SpectraBase Compound ID | KMNz9oWkC7o |
|---|---|
| InChI | InChI=1S/C34H48O8/c1-18(15-35)19(2)29(40)30(42-23(6)38)21(4)28-26(41-22(5)37)14-31(7)27-9-8-24-20(3)25(39)10-11-32(24)16-33(27,32)12-13-34(28,31)17-36/h10-11,18,20-21,24,26-28,30,35-36H,2,8-9,12-17H2,1,3-7H3/t18-,20-,21-,24-,26-,27-,28-,30+,31-,32+,33-,34-/m0/s1 |
| InChIKey | OWFOMRNWEYWSEL-FDQMDRLDSA-N |
| Mol Weight | 584.8 g/mol |
| Molecular Formula | C34H48O8 |
| Exact Mass | 584.334918 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AU7yBJyvHnu |
|---|---|
| Name | 18-HYDROXYNEOBOUTOMELLERONE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O8 |
| InChI | InChI=1S/C34H48O8/c1-18(15-35)19(2)29(40)30(42-23(6)38)21(4)28-26(41-22(5)37)14-31(7)27-9-8-24-20(3)25(39)10-11-32(24)16-33(27,32)12-13-34(28,31)17-36/h10-11,18,20-21,24,26-28,30,35-36H,2,8-9,12-17H2,1,3-7H3/t18-,20-,21-,24-,26-,27-,28-,30+,31-,32+,33-,34-/m0/s1 |
| InChIKey | OWFOMRNWEYWSEL-FDQMDRLDSA-N |
| Literature Reference Author | C.LONG,J.BECK,F.CANTAGREL,L.MARCOURT,L.VENDIER,B.DAVID,F.PLI SSON,F.DERGUINI,I.VA |
| Literature Reference Citation | J.NAT.PROD.,75,34(2012) |
| Literature Reference DOI | 10.1021/np200441h |
| Molecular Weight | 584.750 g/mol |
| Sample ID | 39721 |
| Solvent | CDCl3 |