| SpectraBase Compound ID | JOiSDLc2WI8 |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)12-19-17-6-5-16-11-20(28)23(29)24(30)26(16,4)18(17)8-9-25(19,22)3/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 | SRTGQBIWSBCVSM-RXWDRLOESA-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 | 4BT48A46oVp |
|---|---|
| Name | NEOTOKOROGENIN=(25S)-5-BETA-SPIROSTAN-1-BETA,2-BETA,3-ALPHA-TRIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)22-21(32-27)12-19-17-6-5-16-11-20(28)23(29)24(30)26(16,4)18(17)8-9-25(19,22)3/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 | SRTGQBIWSBCVSM-RXWDRLOESA-N |
| Literature Reference Author | A.UOMORI,S.SEO,K.TORI,Y.TOMITA |
| Literature Reference Citation | PHYTOCHEM.,22,203(1983) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80089-8 |
| Molecular Weight | 448.643 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW17104 |