| SpectraBase Compound ID | Ao2Fem9Ph61 |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-17(2)25(30-29)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/h7,18,20-25,28-29H,1,6,8-16H2,2-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1 |
| InChIKey | UEYFSWJEKNBMRD-GHMQSXNDSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K6co0hjzpT1 |
|---|---|
| Name | 24-PSI-HYDROPEROXYCHOLESTA-5,25-DIEN-3-BETA-OL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-17(2)25(30-29)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/h7,18,20-25,28-29H,1,6,8-16H2,2-5H3/t18-,20+,21+,22-,23+,24+,25?,26+,27-/m1/s1 |
| InChIKey | UEYFSWJEKNBMRD-GHMQSXNDSA-N |
| Literature Reference Author | J.H.SHEU,S.Y.HUANG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,59,23(1996) |
| Literature Reference DOI | 10.1021/np960016w |
| Molecular Weight | 416.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVP880 |