| SpectraBase Compound ID | Ja5H4gEo2jR |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h17,19-20,22-27,30-31H,2,7-16H2,1,3-6H3/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1 |
| InChIKey | IVFIIMONFJXEHP-GDDJFQTCSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9pTuEJsV7dO |
|---|---|
| Name | (24-S)-24-ETHYL-7-ALPHA-HYDRO-PEROXY-CHOLESTA-5,25-DIEN-3-BETA-OL |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)32-31/h17,19-20,22-27,30-31H,2,7-16H2,1,3-6H3/t19-,20-,22+,23-,24+,25+,26-,27+,28+,29-/m1/s1 |
| InChIKey | IVFIIMONFJXEHP-GDDJFQTCSA-N |
| Literature Reference Author | J.H.SHEU,C.C.LIAW,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,58,1521(1995) |
| Literature Reference DOI | 10.1021/np50124a007 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU585 |