![de-a,b-8.beta.-(benzoyloxy)-25-[(methoxymethyl)oxy]-cholest-23-yn-22-one](/api/spectrum/APnXi83IxcX/structure.png?h=300&w=458 "de-a,b-8.beta.-(benzoyloxy)-25-[(methoxymethyl)oxy]-cholest-23-yn-22-one")
| SpectraBase Compound ID | 3XX1SvoUbGm |
|---|---|
| InChI | InChI=1S/C27H36O5/c1-19(23(28)15-17-26(2,3)31-18-30-5)21-13-14-22-24(12-9-16-27(21,22)4)32-25(29)20-10-7-6-8-11-20/h6-8,10-11,19,21-22,24H,9,12-14,16,18H2,1-5H3/t19-,21+,22?,24-,27+/m0/s1 |
| InChIKey | KHCJJTDZYYBWIM-HVPODGHGSA-N |
| Mol Weight | 440.6 g/mol |
| Molecular Formula | C27H36O5 |
| Exact Mass | 440.256274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APnXi83IxcX |
|---|---|
| Name | DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-CHOLEST-23-YN-22-ONE |
| CAS Registry Number | 100858-21-7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O5 |
| InChI | InChI=1S/C27H36O5/c1-19(23(28)15-17-26(2,3)31-18-30-5)21-13-14-22-24(12-9-16-27(21,22)4)32-25(29)20-10-7-6-8-11-20/h6-8,10-11,19,21-22,24H,9,12-14,16,18H2,1-5H3/t19-,21+,22?,24-,27+/m0/s1 |
| InChIKey | KHCJJTDZYYBWIM-HVPODGHGSA-N |
| Literature Reference Author | F.J.SARDINA,A.MOURINO,L.CASTEDO |
| Literature Reference Citation | J.ORG.CHEM.,51,1264(1986) |
| Literature Reference DOI | 10.1021/jo00358a018 |
| Molecular Weight | 440.580 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5097 |