| SpectraBase Compound ID | LiJyTXf3NXd |
|---|---|
| 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/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1 |
| InChIKey | UVLDESQWQRMYKD-FOWCCNIQSA-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 | 7vucLdhlLC0 |
|---|---|
| Name | NEOBOTOGENIN=(25S)-SPIROST-5-EN-3-BETA-OL-12-ON |
| 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/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,24-,25-,26+,27+/m0/s1 |
| InChIKey | UVLDESQWQRMYKD-FOWCCNIQSA-N |
| Literature Reference Author | P.K.AGRAWAL,D.C.JAIN,R.K.GUPTA,R.S.THAKUR |
| Literature Reference Citation | PHYTOCHEM.,24,2479(1985) |
| Literature Reference DOI | 10.1016/S0031-9422(00)80653-6 |
| Molecular Weight | 428.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17128 |