![(22R)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-CHOLEST-23-YN-22-OL](/api/spectrum/ILJmVbfLK8i/structure.png?h=300&w=458 "(22R)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-CHOLEST-23-YN-22-OL")
| SpectraBase Compound ID | 9s8LMqkPWTP |
|---|---|
| InChI | InChI=1S/C27H38O5/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/h6-8,10-11,19,21-24,28H,9,12-14,16,18H2,1-5H3/t19-,21+,22?,23-,24-,27+/m0/s1 |
| InChIKey | KZCGXVQSDRGSNX-PAXLJCAHSA-N |
| Mol Weight | 442.6 g/mol |
| Molecular Formula | C27H38O5 |
| Exact Mass | 442.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILJmVbfLK8i |
|---|---|
| Name | (22R)-DE-A,B-8-BETA-(BENZOYLOXY)-25-[(METHOXYMETHYL)-OXY]-CHOLEST-23-YN-22-OL |
| CAS Registry Number | 100858-20-6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H38O5 |
| InChI | InChI=1S/C27H38O5/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/h6-8,10-11,19,21-24,28H,9,12-14,16,18H2,1-5H3/t19-,21+,22?,23-,24-,27+/m0/s1 |
| InChIKey | KZCGXVQSDRGSNX-PAXLJCAHSA-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 | 442.596 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR5102 |