| SpectraBase Compound ID | 6qE0MBQF3Da |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16-26(11-6-17(14-28)15-31-26)32-23-13-22-20-5-4-18-12-19(29)7-9-24(18,2)21(20)8-10-25(22,3)27(16,23)30/h4,16-17,19-23,28-30H,5-15H2,1-3H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | FIMRNQIXFDPESW-VKROHFNGSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ay4LcJPhEJz |
|---|---|
| Name | (25S)-SPIROST-5-ENE-3-BETA,17-ALPHA,27-TRIOL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16-26(11-6-17(14-28)15-31-26)32-23-13-22-20-5-4-18-12-19(29)7-9-24(18,2)21(20)8-10-25(22,3)27(16,23)30/h4,16-17,19-23,28-30H,5-15H2,1-3H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | FIMRNQIXFDPESW-VKROHFNGSA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MIMAKI |
| Literature Reference Citation | PHYTOCHEM.,69,2724(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.08.004 |
| Molecular Weight | 446.627 g/mol |
| Sample ID | 63148 |
| Solvent | C5D5N |