| SpectraBase Compound ID | 9sCcguQ8Kh1 |
|---|---|
| InChI | InChI=1S/C27H42O4/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/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27+/m1/s1 |
| InChIKey | QOLRLLFJMZLYQJ-VPHKEBNASA-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 | 5rO4INm0AF |
|---|---|
| Name | HECOGENIN |
| Compound Number | 1A |
| 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)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27+/m1/s1 |
| InChIKey | QOLRLLFJMZLYQJ-VPHKEBNASA-N |
| Literature Reference Author | L.B.ZHOU,T.H.CHEN,K.F.BASTOW,M.SHIBANO,K.H.LEE,D.F.CHEN |
| Literature Reference Citation | J.NAT.PROD.,70,1263(2007) |
| Literature Reference DOI | 10.1021/np070138w |
| Molecular Weight | 430.628 g/mol |
| Sample ID | 31375 |
| Solvent | C5D5N |