| SpectraBase Compound ID | gQCST0abXl |
|---|---|
| InChI | InChI=1S/C29H42O5/c1-16(4-5-17-12-19(30)6-9-24(17)32)21-7-8-22-27-23(15-26(34)29(21,22)3)28(2)11-10-20(31)13-18(28)14-25(27)33/h6,9,12,16,18,20-23,25-27,31,33-34H,4-5,7-8,10-11,13-15H2,1-3H3/t16-,18+,20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | DKEDNYSCVBAPDQ-FQZAIXCKSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C29H42O5 |
| Exact Mass | 470.303224 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 | 82hIzfCgNfD |
|---|---|
| Name | 23-(1,4-BENZOQUINOYL)-3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-24-NOR-5-BETA-CHOLANE |
| Compound Number | 6C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O5 |
| InChI | InChI=1S/C29H42O5/c1-16(4-5-17-12-19(30)6-9-24(17)32)21-7-8-22-27-23(15-26(34)29(21,22)3)28(2)11-10-20(31)13-18(28)14-25(27)33/h6,9,12,16,18,20-23,25-27,31,33-34H,4-5,7-8,10-11,13-15H2,1-3H3/t16-,18+,20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | DKEDNYSCVBAPDQ-FQZAIXCKSA-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 | 470.649 g/mol |
| Sample ID | 70526 |
| Solvent | CD3OD |