| SpectraBase Compound ID | GTJwEWxFjwh |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-18(7-6-14-25(2,3)30-29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h6,8,14,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/b14-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SISZKTSVHKUZKL-HUYSPLOCSA-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 | 2Kwzk3j5lLA |
|---|---|
| Name | 25-HYDROPEROXYCHOLESTA-5,23(E)-DIEN-3-BETA-OL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-18(7-6-14-25(2,3)30-29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h6,8,14,18,20-24,28-29H,7,9-13,15-17H2,1-5H3/b14-6+/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | SISZKTSVHKUZKL-HUYSPLOCSA-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 | UWVP881 |