| SpectraBase Compound ID | 8X2QDXWzM06 |
|---|---|
| InChI | InChI=1S/C29H44O3/c1-16-12-22(16)17(2)13-26(31)18(3)23-8-9-24-21-7-6-19-14-20(30)10-11-28(19,4)25(21)15-27(32)29(23,24)5/h16-17,19,21-25,27,32H,3,6-15H2,1-2,4-5H3/t16-,17?,19+,21+,22+,23-,24+,25+,27-,28+,29-/m1/s1 |
| InChIKey | ZBIUJNBNGDFYLA-ACAKQNHOSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C29H44O3 |
| Exact Mass | 440.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6JsnSO01HS |
|---|---|
| Name | XESTOKEROL-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H44O3 |
| InChI | InChI=1S/C29H44O3/c1-16-12-22(16)17(2)13-26(31)18(3)23-8-9-24-21-7-6-19-14-20(30)10-11-28(19,4)25(21)15-27(32)29(23,24)5/h16-17,19,21-25,27,32H,3,6-15H2,1-2,4-5H3/t16-,17?,19+,21+,22+,23-,24+,25+,27-,28+,29-/m1/s1 |
| InChIKey | ZBIUJNBNGDFYLA-ACAKQNHOSA-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 | 440.667 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS17902 |