| SpectraBase Compound ID | 9QqBxa4AtTe |
|---|---|
| InChI | InChI=1S/C42H68O9/c1-11-20-27(2)23-29(4)39(47)33(8)41-31(6)35(49-10)26-42(51-41)36(43)24-30(5)40(50-42)32(7)38(46)28(3)21-18-16-14-12-13-15-17-19-22-34(48-9)25-37(44)45/h12-22,28-36,38-41,43,46-47H,11,23-26H2,1-10H3,(H,44,45)/b13-12-,16-14+,17-15+,21-18-,22-19-,27-20+/t28-,29-,30-,31+,32-,33+,34-,35+,36-,38-,39-,40-,41-,42+/m0/s1 |
| InChIKey | BOJZOFIRYFCWHX-MPYODMJXSA-N |
| Mol Weight | 717.0 g/mol |
| Molecular Formula | C42H68O9 |
| Exact Mass | 716.486334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LxOUZbmLEi |
|---|---|
| Name | SPIRANGIEN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O9 |
| InChI | InChI=1S/C42H68O9/c1-11-20-27(2)23-29(4)39(47)33(8)41-31(6)35(49-10)26-42(51-41)36(43)24-30(5)40(50-42)32(7)38(46)28(3)21-18-16-14-12-13-15-17-19-22-34(48-9)25-37(44)45/h12-22,28-36,38-41,43,46-47H,11,23-26H2,1-10H3,(H,44,45)/b13-12-,16-14+,17-15+,21-18-,22-19-,27-20+/t28-,29-,30-,31+,32-,33+,34-,35+,36-,38-,39-,40-,41-,42+/m0/s1 |
| InChIKey | BOJZOFIRYFCWHX-MPYODMJXSA-N |
| Literature Reference Author | J.NIGGEMANN,N.BEDORF,U.FLOERKE,H.STEINMETZ,K.GERTH,H.REICHEN BACH,G.HOEFLE |
| Literature Reference Citation | EUR.J.ORG.CHEM.,5013(2005) |
| Molecular Weight | 716.997 g/mol |
| Sample ID | 42457 |
| Solvent | CD3OD |