| SpectraBase Compound ID | JiUWPsJlvmy |
|---|---|
| InChI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VMXMLOFNEQBYHM-INVHITAPSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C27H42O2 |
| Exact Mass | 398.318481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1TPSPs1QG4W |
|---|---|
| Name | (22E)-3-BETA-HYDROXYCHOLESTA-5,22-DIEN-24-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O2 |
| InChI | InChI=1S/C27H42O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h6-7,11,17-18,20-24,28H,8-10,12-16H2,1-5H3/b11-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VMXMLOFNEQBYHM-INVHITAPSA-N |
| Literature Reference Author | F.DERICCARDIS,L.MINALE,M.IORIZZI,C.DEBITUS,C.LEVI |
| Literature Reference Citation | J.NAT.PROD.,56,282(1993) |
| Literature Reference DOI | 10.1021/np50092a016 |
| Molecular Weight | 398.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1019 |