| SpectraBase Compound ID | 4j44cpEUYSG |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3/t16-,17+,18-,19?,20?,21?,22?,24?,25-,26+,27+/m0/s1 |
| InChIKey | NTVAFGGHUHTGEK-TXKJPBTKSA-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 | DXrlqXd01fI |
|---|---|
| Name | SCHIDIGERAGENIN-B;5-BETA-SPIROST-25-(27)-EN-3-BETA-OL-12-ONE |
| Compound Number | 18 |
| 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)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h16-22,24,28H,1,5-14H2,2-4H3/t16-,17+,18-,19?,20?,21?,22?,24?,25-,26+,27+/m0/s1 |
| InChIKey | NTVAFGGHUHTGEK-TXKJPBTKSA-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 | 428.612 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVP7313 |