| SpectraBase Compound ID | GttmxI6v42b |
|---|---|
| InChI | InChI=1S/C29H42O3/c1-18(4-5-19-16-21(30)7-11-27(19)32)24-9-10-25-23-8-6-20-17-22(31)12-14-28(20,2)26(23)13-15-29(24,25)3/h7,11,16,18,20,22-26,31H,4-6,8-10,12-15,17H2,1-3H3/t18-,20-,22-,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | HXONBACGQPZMBY-MWHVQMJISA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C29H42O3 |
| Exact Mass | 438.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92ygyqrBthM |
|---|---|
| Name | 23-(1,4-BENZOQUINOYL)-3-ALPHA-HYDROXY-24-NOR-5-BETA-CHOLANE |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O3 |
| InChI | InChI=1S/C29H42O3/c1-18(4-5-19-16-21(30)7-11-27(19)32)24-9-10-25-23-8-6-20-17-22(31)12-14-28(20,2)26(23)13-15-29(24,25)3/h7,11,16,18,20,22-26,31H,4-6,8-10,12-15,17H2,1-3H3/t18-,20-,22-,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey | HXONBACGQPZMBY-MWHVQMJISA-N |
| Literature Reference Author | G.E.SILESS,M.E.KNOTT,M.G.DERITA,S.A.ZACCHINO,L.PURICELLI,J.A .PALERMO |
| Literature Reference Citation | STEROIDS,77,45(2012) |
| Literature Reference DOI | 10.1016/j.steroids.2011.09.012 |
| Molecular Weight | 438.651 g/mol |
| Sample ID | 70525 |
| Solvent | CDCl3 |