| SpectraBase Compound ID | AGCo38wzy3C |
|---|---|
| InChI | InChI=1S/C29H48O4/c1-16(20-12-17(20)2)8-11-28(4,33)24-7-6-21-26-22(15-25(32)29(21,24)5)27(3)10-9-19(30)13-18(27)14-23(26)31/h16-18,20-26,31-33H,6-15H2,1-5H3/t16?,17-,18+,20-,21-,22-,23+,24+,25+,26-,27-,28?,29-/m0/s1 |
| InChIKey | UAWXUTQLQAYKSX-NWFIIQFRSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C29H48O4 |
| Exact Mass | 460.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wKvWTB7O3F |
|---|---|
| Name | XESTOKEROL-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O4 |
| InChI | InChI=1S/C29H48O4/c1-16(20-12-17(20)2)8-11-28(4,33)24-7-6-21-26-22(15-25(32)29(21,24)5)27(3)10-9-19(30)13-18(27)14-23(26)31/h16-18,20-26,31-33H,6-15H2,1-5H3/t16?,17-,18+,20-,21-,22-,23+,24+,25+,26-,27-,28?,29-/m0/s1 |
| InChIKey | UAWXUTQLQAYKSX-NWFIIQFRSA-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 | 460.698 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCS17901 |