| SpectraBase Compound ID | 15vb3ARIW5T |
|---|---|
| InChI | InChI=1S/C29H42O4/c1-17(4-5-18-14-20(30)6-9-25(18)32)22-7-8-23-27-24(11-13-29(22,23)3)28(2)12-10-21(31)15-19(28)16-26(27)33/h6,9,14,17,19,21-24,26-27,31,33H,4-5,7-8,10-13,15-16H2,1-3H3/t17-,19+,21-,22-,23+,24+,26-,27+,28+,29-/m1/s1 |
| InChIKey | WHLFJBLPONOZFN-ONPQFZDASA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C29H42O4 |
| Exact Mass | 454.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5HpTD1UuFEX |
|---|---|
| Name | 23-(1,4-BENZOQUINOYL)-3-ALPHA,7-ALPHA-DIHYDROXY-24-NOR-5-BETA-CHOLANE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O4 |
| InChI | InChI=1S/C29H42O4/c1-17(4-5-18-14-20(30)6-9-25(18)32)22-7-8-23-27-24(11-13-29(22,23)3)28(2)12-10-21(31)15-19(28)16-26(27)33/h6,9,14,17,19,21-24,26-27,31,33H,4-5,7-8,10-13,15-16H2,1-3H3/t17-,19+,21-,22-,23+,24+,26-,27+,28+,29-/m1/s1 |
| InChIKey | WHLFJBLPONOZFN-ONPQFZDASA-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 | 454.650 g/mol |
| Sample ID | 70524 |
| Solvent | CDCl3 |