| SpectraBase Compound ID | JxESj5ajQ0L |
|---|---|
| InChI | InChI=1S/C33H46O6/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/h8,11,16,19,23,25-28,30-31H,6-7,9-10,12-15,17-18H2,1-5H3/t19-,23+,25-,26-,27+,28+,30-,31+,32+,33-/m1/s1 |
| InChIKey | RSXOITUZHBSWHR-QDCSWJHHSA-N |
| Mol Weight | 538.7 g/mol |
| Molecular Formula | C33H46O6 |
| Exact Mass | 538.329439 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 48dihPQCsuv |
|---|---|
| Name | 23-(1,4-BENZOQUINOYL)-24-NOR-5-BETA-CHOLANE-3-ALPHA,7-ALPHA-DIYL-DIACETATE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H46O6 |
| InChI | InChI=1S/C33H46O6/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/h8,11,16,19,23,25-28,30-31H,6-7,9-10,12-15,17-18H2,1-5H3/t19-,23+,25-,26-,27+,28+,30-,31+,32+,33-/m1/s1 |
| InChIKey | RSXOITUZHBSWHR-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 | 538.725 g/mol |
| Sample ID | 70521 |
| Solvent | CDCl3 |