| SpectraBase Compound ID | 4Ra7sUeh6xp |
|---|---|
| InChI | InChI=1S/C40H50O12/c1-34(2)22(42)11-24-38(15-47-29(43)26(34)38)21-5-4-18-13-36(21,32(45)51-24)31(44)40(18)9-6-19-17-10-20(41)25-37(12-17,28(19)52-40)33(46)50-23-7-8-35(3)14-48-30-27(35)39(23,25)16-49-30/h17-18,20-27,29-30,41-43H,4-16H2,1-3H3/t17-,18-,20-,21-,22+,23+,24+,25-,26-,27-,29-,30+,35+,36+,37+,38-,39+,40+/m1/s1 |
| InChIKey | FNVZLPATTUHFSQ-XMTGFYARSA-N |
| Mol Weight | 722.8 g/mol |
| Molecular Formula | C40H50O12 |
| Exact Mass | 722.330227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10Gfko6aWVf |
|---|---|
| Name | SCULPONIN_E |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H50O12 |
| InChI | InChI=1S/C40H50O12/c1-34(2)22(42)11-24-38(15-47-29(43)26(34)38)21-5-4-18-13-36(21,32(45)51-24)31(44)40(18)9-6-19-17-10-20(41)25-37(12-17,28(19)52-40)33(46)50-23-7-8-35(3)14-48-30-27(35)39(23,25)16-49-30/h17-18,20-27,29-30,41-43H,4-16H2,1-3H3/t17-,18-,20-,21-,22+,23+,24+,25-,26-,27-,29-,30+,35+,36+,37+,38-,39+,40+/m1/s1 |
| InChIKey | FNVZLPATTUHFSQ-XMTGFYARSA-N |
| Literature Reference Author | L.M.LI,G.Y.LI,J.X.PU,W.L.PU,W.L.XIAO,L.S.DING,H.D.SUN |
| Literature Reference Citation | J.NAT.PROD.,72,1851(2009) |
| Literature Reference DOI | 10.1021/np900406c |
| Molecular Weight | 722.830 g/mol |
| Sample ID | 33731 |
| Solvent | C5D5N |