| SpectraBase Compound ID | 3teEsu78IiV |
|---|---|
| InChI | InChI=1S/C29H46O3/c1-7-29(32-31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,18-20,23-26,31H,1,8-17H2,2-6H3/t20-,23+,24-,25+,26+,27+,28-,29?/m1/s1 |
| InChIKey | SICXMLBXUWOBEI-GGRDDZGFSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C29H46O3 |
| Exact Mass | 442.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IY7a0vJVY3d |
|---|---|
| Name | 24-XI-HYDROPEROXY-24-ETHYLCHOLESTA-4,28(29)-DIEN-3-ONE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O3 |
| InChI | InChI=1S/C29H46O3/c1-7-29(32-31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h7,18-20,23-26,31H,1,8-17H2,2-6H3/t20-,23+,24-,25+,26+,27+,28-,29?/m1/s1 |
| InChIKey | SICXMLBXUWOBEI-GGRDDZGFSA-N |
| Literature Reference Author | J.H.SHEU,G.H.WANG,P.J.SUNG,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,62,224(1999) |
| Literature Reference DOI | 10.1021/np980233s |
| Molecular Weight | 442.682 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8449 |