| SpectraBase Compound ID | JYeuHRcz1j7 |
|---|---|
| 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/h17-24,28H,1,5-15H2,2-4H3/t17-,18+,19-,20?,21?,22?,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | GFGFAMNBRXAQGB-QDKOBGSOSA-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 | LV2bpFgxzVK |
|---|---|
| Name | SCHIDIGERAGENIN-A;5-BETA-SPIROST-25(27)-ENE-3-BETA-OL |
| Compound Number | 15 |
| 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/h17-24,28H,1,5-15H2,2-4H3/t17-,18+,19-,20?,21?,22?,23?,24?,25-,26-,27+/m0/s1 |
| InChIKey | GFGFAMNBRXAQGB-QDKOBGSOSA-N |
| Literature Reference Author | M.MIYAKOSHI,Y.TAMURA,H.MASUDA,K.MIZUTANI,O.TANAKA,T.IKEDA,K. OHTANI,R.KASAI,K.YAM |
| Literature Reference Citation | J.NAT.PROD.,63,332(2000) |
| Literature Reference DOI | 10.1021/np9904354 |
| Molecular Weight | 414.629 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7312 |