| SpectraBase Compound ID | LjXXtcfYA9T |
|---|---|
| InChI | InChI=1S/C30H50O6/c1-17(13-20(33)24(35)25(2,3)36)18-7-9-28(6)23-19(32)14-21-26(4,16-31)22(34)8-10-29(21)15-30(23,29)12-11-27(18,28)5/h17-21,23-24,31-33,35-36H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,23+,24-,26+,27-,28+,29-,30+/m1/s1 |
| InChIKey | KIGVCZYFPXRACV-ZELKUKKSSA-N |
| Mol Weight | 506.7 g/mol |
| Molecular Formula | C30H50O6 |
| Exact Mass | 506.360739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KkKOAnq1byp |
|---|---|
| Name | COMBRETANONE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O6 |
| InChI | InChI=1S/C30H50O6/c1-17(13-20(33)24(35)25(2,3)36)18-7-9-28(6)23-19(32)14-21-26(4,16-31)22(34)8-10-29(21)15-30(23,29)12-11-27(18,28)5/h17-21,23-24,31-33,35-36H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,23+,24-,26+,27-,28+,29-,30+/m1/s1 |
| InChIKey | KIGVCZYFPXRACV-ZELKUKKSSA-N |
| Literature Reference Author | K.TOUME,T.NAKAZAWA,T.OHTSUKI,M.A.ARAI,T.KOYANO,T.KOWITHAYAKO RN,M.ISHIBASHI |
| Literature Reference Citation | J.NAT.PROD.,74,249(2011) |
| Literature Reference DOI | 10.1021/np100784t |
| Molecular Weight | 506.723 g/mol |
| Sample ID | 37490 |
| Solvent | CD3OD |