| SpectraBase Compound ID | ERaTMPERFg6 |
|---|---|
| InChI | InChI=1S/C32H46O5/c1-17(2)18(3)27(35)28(36)20(5)26-24(37-21(6)33)15-30(8)25-10-9-22-19(4)23(34)11-12-31(22)16-32(25,31)14-13-29(26,30)7/h11-12,17,19-20,22,24-26,28,36H,3,9-10,13-16H2,1-2,4-8H3/t19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1 |
| InChIKey | BOSPWDGVNSGRFD-KLZLLWCWSA-N |
| Mol Weight | 510.7 g/mol |
| Molecular Formula | C32H46O5 |
| Exact Mass | 510.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ehVcpNa7uM |
|---|---|
| Name | 22-DE-O-ACETYL-26-DEOXYNEOBOUTOMELLERONE |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H46O5 |
| InChI | InChI=1S/C32H46O5/c1-17(2)18(3)27(35)28(36)20(5)26-24(37-21(6)33)15-30(8)25-10-9-22-19(4)23(34)11-12-31(22)16-32(25,31)14-13-29(26,30)7/h11-12,17,19-20,22,24-26,28,36H,3,9-10,13-16H2,1-2,4-8H3/t19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1 |
| InChIKey | BOSPWDGVNSGRFD-KLZLLWCWSA-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 | 510.714 g/mol |
| Sample ID | 39728 |
| Solvent | CD3CN |