| SpectraBase Compound ID | GT95q9WzG6c |
|---|---|
| InChI | InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | SXKZQQLEAKYPEY-PARQNSHSSA-N |
| Mol Weight | 446.7 g/mol |
| Molecular Formula | C29H50O3 |
| Exact Mass | 446.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pRHymnFfKU |
|---|---|
| Name | 4-ALPHA-ACETOXY-5-ALPHA-CHOLESTAN-5-ALPHA-OL |
| CAS Registry Number | 5748-95-8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H50O3 |
| InChI | InChI=1S/C29H50O3/c1-19(2)9-7-10-20(3)23-12-13-24-22-14-18-29(31)26(32-21(4)30)11-8-16-28(29,6)25(22)15-17-27(23,24)5/h19-20,22-26,31H,7-18H2,1-6H3/t20-,22+,23-,24+,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | SXKZQQLEAKYPEY-PARQNSHSSA-N |
| Literature Reference Author | C.L.VANANTWERP,H.EGGERT,G.D.MEAKINS,J.O.MINERS,C.DJERASSI |
| Literature Reference Citation | J.ORG.CHEM.,42,789(1977) |
| Literature Reference DOI | 10.1021/jo00425a005 |
| Molecular Weight | 446.714 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW9710 |