| SpectraBase Compound ID | F52lNvAC4cw |
|---|---|
| InChI | InChI=1S/C34H48O7/c1-17(2)18(3)29(39)30(41-22(7)36)20(5)28-25(40-21(6)35)15-32(9)26-14-24(38)27-19(4)23(37)10-11-34(27)16-33(26,34)13-12-31(28,32)8/h10-11,17,19-20,24-28,30,38H,3,12-16H2,1-2,4-9H3/t19-,20+,24-,25+,26+,27-,28+,30-,31-,32+,33+,34-/m1/s1 |
| InChIKey | ATZZAPNMDQBHNR-GVEUASAVSA-N |
| Mol Weight | 568.8 g/mol |
| Molecular Formula | C34H48O7 |
| Exact Mass | 568.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFJsjd4th2z |
|---|---|
| Name | 6-HYDROXY-26-DEOXYNEOBOUTOMELLERONE |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H48O7 |
| InChI | InChI=1S/C34H48O7/c1-17(2)18(3)29(39)30(41-22(7)36)20(5)28-25(40-21(6)35)15-32(9)26-14-24(38)27-19(4)23(37)10-11-34(27)16-33(26,34)13-12-31(28,32)8/h10-11,17,19-20,24-28,30,38H,3,12-16H2,1-2,4-9H3/t19-,20+,24-,25+,26+,27-,28+,30-,31-,32+,33+,34-/m1/s1 |
| InChIKey | ATZZAPNMDQBHNR-GVEUASAVSA-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 | 568.751 g/mol |
| Sample ID | 39729 |
| Solvent | CD3CN |