| SpectraBase Compound ID | IK9jSArTNcT |
|---|---|
| InChI | InChI=1S/C35H50O8/c1-19(7-8-23-15-25(39)9-12-30(23)40)27-10-11-28-33-29(18-32(35(27,28)6)43-22(4)38)34(5)14-13-26(41-20(2)36)16-24(34)17-31(33)42-21(3)37/h9,12,15,19,24,26-29,31-33,39-40H,7-8,10-11,13-14,16-18H2,1-6H3/t19-,24+,26-,27-,28+,29+,31-,32+,33+,34+,35-/m1/s1 |
| InChIKey | YXCSBNRECBNCPU-MYGQEWPBSA-N |
| Mol Weight | 598.8 g/mol |
| Molecular Formula | C35H50O8 |
| Exact Mass | 598.350569 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESZHRtabAQi |
|---|---|
| Name | 23-HYDROQUINOYL-24-NOR-5-BETA-CHOLANE-3-ALPHA,7-ALPHA,12-ALPHA-TRIYL-TRIACETATE |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50O8 |
| InChI | InChI=1S/C35H50O8/c1-19(7-8-23-15-25(39)9-12-30(23)40)27-10-11-28-33-29(18-32(35(27,28)6)43-22(4)38)34(5)14-13-26(41-20(2)36)16-24(34)17-31(33)42-21(3)37/h9,12,15,19,24,26-29,31-33,39-40H,7-8,10-11,13-14,16-18H2,1-6H3/t19-,24+,26-,27-,28+,29+,31-,32+,33+,34+,35-/m1/s1 |
| InChIKey | YXCSBNRECBNCPU-MYGQEWPBSA-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 | 598.777 g/mol |
| Sample ID | 70520 |
| Solvent | CDCl3 |