| SpectraBase Compound ID | 55rS9CDMofk |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | ALTRINCJVPIQNK-VIBADNOWSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tvOjI874az |
|---|---|
| Name | 3-EPI-NEORUSCOGENIN;(25R)-1-BETA,3-ALPHA-DIHYDROXY-SPIROSTAN5,25(27)-DIENE |
| Compound Number | 63 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h5,16,18-24,28-29H,1,6-14H2,2-4H3/t16-,18-,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1 |
| InChIKey | ALTRINCJVPIQNK-VIBADNOWSA-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 | 428.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS22151 |