| SpectraBase Compound ID | 95kIlIyciLk |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21+,22-,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | RITLMVFAPHKTTN-LYBHWECYSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3U7XMwzCOy0 |
|---|---|
| Name | (25R)-5-ALPHA-SPIROSTAN-3-BETA,7-BETA,12-BETA-TRIOL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-21(32-27)11-19-23-18(12-22(30)26(19,24)4)25(3)7-6-17(28)9-16(25)10-20(23)29/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21+,22-,23-,24+,25+,26-,27+/m1/s1 |
| InChIKey | RITLMVFAPHKTTN-LYBHWECYSA-N |
| Literature Reference Author | A.V.PATEL,G.BLUNDEN,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,35,125(1994) |
| Literature Reference DOI | 10.1016/s0031-9422(00)90520-x |
| Molecular Weight | 448.643 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24093 |