| SpectraBase Compound ID | APkrSMpgW6K |
|---|---|
| InChI | InChI=1S/C27H42O4/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/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16-,18+,19?,20?,21?,22?,23+,24?,25-,26-,27+/m0/s1 |
| InChIKey | QMQIQBOGXYYATH-GUBGPYKQSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C27H42O4 |
| Exact Mass | 430.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkEviTc9j06 |
|---|---|
| Name | RUSCOGENIN;(25R)-SPIROST-5-ENE-1-BETA,3-BETA-DIOL |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O4 |
| InChI | InChI=1S/C27H42O4/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/h5,15-16,18-24,28-29H,6-14H2,1-4H3/t15-,16-,18+,19?,20?,21?,22?,23+,24?,25-,26-,27+/m0/s1 |
| InChIKey | QMQIQBOGXYYATH-GUBGPYKQSA-N |
| Literature Reference Author | Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,48,485(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00036-3 |
| Molecular Weight | 430.628 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1034 |