| SpectraBase Compound ID | IwAou1kAXCB |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | WQLVFSAGQJTQCK-MEPOCMDBSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79Yc5wowcX1 |
|---|---|
| Name | DIOSGENIN;3-BETA-HYDROXY-5-SPIROSTENE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | WQLVFSAGQJTQCK-MEPOCMDBSA-N |
| Literature Reference Author | G.W.WU,J.M.GAO,X.W.SHI,Q.ZHANG,S.P.WEI,K.DING |
| Literature Reference Citation | J.NAT.PROD.,74,2095(2011) |
| Literature Reference DOI | 10.1021/np2003484 |
| Molecular Weight | 414.629 g/mol |
| Sample ID | 39338 |
| Solvent | CD3OD |