| SpectraBase Compound ID | 6dnT9ZEa1ZF |
|---|---|
| InChI | InChI=1S/C29H48O5/c1-16-11-21(16)17(2)12-26(33)29(34,15-30)24-8-7-22-20-6-5-18-13-19(31)9-10-27(18,3)23(20)14-25(32)28(22,24)4/h16-18,20-26,30,32-34H,5-15H2,1-4H3/t16-,17?,18-,20-,21+,22-,23-,24-,25+,26?,27-,28-,29?/m0/s1 |
| InChIKey | QTOXHNDSMJEJPL-MVKYZIPISA-N |
| Mol Weight | 476.7 g/mol |
| Molecular Formula | C29H48O5 |
| Exact Mass | 476.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bq8gzbF6fXf |
|---|---|
| Name | XESTOKEROL-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O5 |
| InChI | InChI=1S/C29H48O5/c1-16-11-21(16)17(2)12-26(33)29(34,15-30)24-8-7-22-20-6-5-18-13-19(31)9-10-27(18,3)23(20)14-25(32)28(22,24)4/h16-18,20-26,30,32-34H,5-15H2,1-4H3/t16-,17?,18-,20-,21+,22-,23-,24-,25+,26?,27-,28-,29?/m0/s1 |
| InChIKey | QTOXHNDSMJEJPL-MVKYZIPISA-N |
| Literature Reference Author | J.KOBAYASHI,K.ISHIDA,K.NAITOH,H.SHIGEMORI,Y.MIKAMI,T.SASAKI |
| Literature Reference Citation | J.NAT.PROD.,56,1350(1993) |
| Literature Reference DOI | 10.1021/np50098a019 |
| Molecular Weight | 476.697 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS17900 |