| SpectraBase Compound ID | 3QagE4KQPFg |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16-23-22(32-27(16)11-10-26(30,14-28)15-31-27)13-21-19-5-4-17-12-18(29)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3/t16-,18-,19+,20-,21-,22-,23-,24?,25?,26?,27+/m0/s1 |
| InChIKey | LAJZFNUUUUJYJR-UULCLQIBSA-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 | NBMUzNSKwR |
|---|---|
| Name | (25R/25S)-SPIROTACCAGENIN;(3-BETA,25,27)-SPIROST-5-ENE-3,25,27-TRIOL;MIXTURE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16-23-22(32-27(16)11-10-26(30,14-28)15-31-27)13-21-19-5-4-17-12-18(29)6-8-24(17,2)20(19)7-9-25(21,23)3/h4,16,18-23,28-30H,5-15H2,1-3H3/t16-,18-,19+,20-,21-,22-,23-,24?,25?,26?,27+/m0/s1 |
| InChIKey | LAJZFNUUUUJYJR-UULCLQIBSA-N |
| Literature Reference Author | A.ABDEL-AZIZ,K.BRAIN,G.BLUNDEN,T.CRABB,A.K.BASHIR |
| Literature Reference Citation | PHYTOCHEM.,29,1643(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80138-7 |
| Molecular Weight | 446.627 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32099 |