| SpectraBase Compound ID | IJ7v9e93NAV |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-8-21(19(3)4)11-10-20(5)23-14-15-24-22-12-13-26-27(32)31(34,28(33)35-9-2)18-30(26,7)25(22)16-17-29(23,24)6/h13,19-25,34H,8-12,14-18H2,1-7H3/t20-,21?,22+,23-,24+,25+,29-,30-,31+/m1/s1 |
| InChIKey | JJTMZAZHPXGMNB-GYQKQPKLSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | iG955LOgPO |
|---|---|
| Name | 2-ETHOXYCARBONYL-24-ETHYL-2-BETA-HYDROXY-A-NOR-CHOLESTA-5-EN-4-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-8-21(19(3)4)11-10-20(5)23-14-15-24-22-12-13-26-27(32)31(34,28(33)35-9-2)18-30(26,7)25(22)16-17-29(23,24)6/h13,19-25,34H,8-12,14-18H2,1-7H3/t20-,21?,22+,23-,24+,25+,29-,30-,31+/m1/s1 |
| InChIKey | JJTMZAZHPXGMNB-GYQKQPKLSA-N |
| Literature Reference Author | S.YU,Z.DENG,P.PROKSCH,W.LIN |
| Literature Reference Citation | J.NAT.PROD.,69,1330(2006) |
| Literature Reference DOI | 10.1021/np0600494 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15507 |