| SpectraBase Compound ID | Ely7Oy849t0 |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)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-,27-/m0/s1 |
| InChIKey | ALWIMEGFKSOEQI-YULLONPUSA-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 | KEMucKbWIs6 |
|---|---|
| Name | TACCAGENIN;3-BETA,26,27-TRIHYDROXY-FUROSPIROSTAN-5-ENE |
| Compound Number | 86 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16-23-22(31-27(16)11-10-26(14-28,15-29)32-27)13-21-19-5-4-17-12-18(30)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-,27-/m0/s1 |
| InChIKey | ALWIMEGFKSOEQI-YULLONPUSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK |
| Literature Reference Citation | MAGN.RES.CHEM.,33,923(1995) |
| Literature Reference DOI | 10.1002/mrc.1260331202 |
| Molecular Weight | 446.627 g/mol |
| Solvent | CDCl3 |