| SpectraBase Compound ID | HJ4UZTPacbh |
|---|---|
| InChI | InChI=1S/C34H48O8/c1-17(15-35)18(2)29(40)30(42-22(6)37)20(4)28-25(41-21(5)36)14-32(8)26-13-24(39)27-19(3)23(38)9-10-34(27)16-33(26,34)12-11-31(28,32)7/h9-10,17,19-20,24-28,30,35,39H,2,11-16H2,1,3-8H3/t17-,19+,20-,24+,25-,26-,27+,28-,30+,31+,32-,33-,34+/m0/s1 |
| InChIKey | HEMHDIHNEPEXBX-CKVQJATHSA-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 | 2bRt5AF3cvM |
|---|---|
| Name | 6-BETA-HYDROXYNEOBOUTOMELLERONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O8 |
| InChI | InChI=1S/C34H48O8/c1-17(15-35)18(2)29(40)30(42-22(6)37)20(4)28-25(41-21(5)36)14-32(8)26-13-24(39)27-19(3)23(38)9-10-34(27)16-33(26,34)12-11-31(28,32)7/h9-10,17,19-20,24-28,30,35,39H,2,11-16H2,1,3-8H3/t17-,19+,20-,24+,25-,26-,27+,28-,30+,31+,32-,33-,34+/m0/s1 |
| InChIKey | HEMHDIHNEPEXBX-CKVQJATHSA-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 | 39719 |
| Solvent | CDCl3 |