| SpectraBase Compound ID | 8eDLDvFr2SN |
|---|---|
| InChI | InChI=1S/C33H48O6/c1-19(6-7-22-16-24(36)8-11-29(22)37)26-9-10-27-31-28(13-15-33(26,27)5)32(4)14-12-25(38-20(2)34)17-23(32)18-30(31)39-21(3)35/h8,11,16,19,23,25-28,30-31,36-37H,6-7,9-10,12-15,17-18H2,1-5H3/t19-,23+,25-,26-,27+,28+,30-,31+,32+,33-/m1/s1 |
| InChIKey | LHRSIZVOMWHLBN-QDCSWJHHSA-N |
| Mol Weight | 540.7 g/mol |
| Molecular Formula | C33H48O6 |
| Exact Mass | 540.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DAKcnJT2wAt |
|---|---|
| Name | 23-HYDROQUINOYL-24-NOR-5-BETA-CHOLANE-3-ALPHA,7-ALPHA-DIYL-DIACETATE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O6 |
| InChI | InChI=1S/C33H48O6/c1-19(6-7-22-16-24(36)8-11-29(22)37)26-9-10-27-31-28(13-15-33(26,27)5)32(4)14-12-25(38-20(2)34)17-23(32)18-30(31)39-21(3)35/h8,11,16,19,23,25-28,30-31,36-37H,6-7,9-10,12-15,17-18H2,1-5H3/t19-,23+,25-,26-,27+,28+,30-,31+,32+,33-/m1/s1 |
| InChIKey | LHRSIZVOMWHLBN-QDCSWJHHSA-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 | 540.741 g/mol |
| Sample ID | 70518 |
| Solvent | CDCl3 |