| SpectraBase Compound ID | HSPhoZkufLf |
|---|---|
| InChI | InChI=1S/C31H46N2O9/c1-5-9-23-16-24(37-3)14-21(2)15-25-17-26(18-27(40-25)19-30(35)41-23)42-29(34)12-7-6-10-22-20-39-28(33-22)11-8-13-32-31(36)38-4/h7-8,11-12,20-21,23-27H,5-6,9-10,13-19H2,1-4H3,(H,32,36)/b11-8-,12-7-/t21-,23+,24+,25+,26+,27+/m0/s1 |
| InChIKey | YRSJLYCTJWNTMF-NRBUTUAXSA-N |
| Mol Weight | 590.7 g/mol |
| Molecular Formula | C31H46N2O9 |
| Exact Mass | 590.320331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5XIrnAKK3Rn |
|---|---|
| Name | NEOPELTOLIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H46N2O9 |
| InChI | InChI=1S/C31H46N2O9/c1-5-9-23-16-24(37-3)14-21(2)15-25-17-26(18-27(40-25)19-30(35)41-23)42-29(34)12-7-6-10-22-20-39-28(33-22)11-8-13-32-31(36)38-4/h7-8,11-12,20-21,23-27H,5-6,9-10,13-19H2,1-4H3,(H,32,36)/b11-8-,12-7-/t21-,23+,24+,25+,26+,27+/m0/s1 |
| InChIKey | YRSJLYCTJWNTMF-NRBUTUAXSA-N |
| Literature Reference Author | A.E.WRIGHT,J.C.BOTELHO,E.GUZMAN,D.HARMODY,P.LINLEY,P.J.MCCAR THY,T.P.PITTS,S.A.PO |
| Literature Reference Citation | J.NAT.PROD.,70,412(2007) |
| Literature Reference DOI | 10.1021/np060597h |
| Molecular Weight | 590.714 g/mol |
| Sample ID | 30048 |
| Solvent | CD3OD |