| SpectraBase Compound ID | B3FGM9fM1Z6 |
|---|---|
| InChI | InChI=1S/C26H38O5/c1-15(5-10-23(29)30)20-8-9-21-19-7-6-17-13-18(28)11-12-25(17,3)24(19)22(31-16(2)27)14-26(20,21)4/h13,15,19-22,24H,5-12,14H2,1-4H3,(H,29,30)/t15-,19?,20-,21?,22-,24?,25+,26-/m1/s1 |
| InChIKey | PUXNXCHXYGADQM-VSJNCQDQSA-N |
| Mol Weight | 430.6 g/mol |
| Molecular Formula | C26H38O5 |
| Exact Mass | 430.271924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K7bg9XBYdjm |
|---|---|
| Name | 11-ACETYL-3-OXO-CHOL-4-EN-24-OIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H38O5 |
| InChI | InChI=1S/C26H38O5/c1-15(5-10-23(29)30)20-8-9-21-19-7-6-17-13-18(28)11-12-25(17,3)24(19)22(31-16(2)27)14-26(20,21)4/h13,15,19-22,24H,5-12,14H2,1-4H3,(H,29,30)/t15-,19?,20-,21?,22-,24?,25+,26-/m1/s1 |
| InChIKey | PUXNXCHXYGADQM-VSJNCQDQSA-N |
| Literature Reference Author | S.C.LIEVENS,H.HOPE,T.F.MOLINSKI |
| Literature Reference Citation | J.NAT.PROD.,67,2130(2004) |
| Literature Reference DOI | 10.1021/np049766t |
| Molecular Weight | 430.585 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ6886 |