| SpectraBase Compound ID | IfDPWYkj3Vq |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-27-12-9-22-29(3,14-11-24(35)31(22,5)26(36)37-6)21(27)8-7-19-18(16-27)15-20(33)25-28(19,2)13-10-23(34)30(25,4)17-32/h15,19,21-25,32,34-35H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | WWVFRAVFOHSRSP-QRHDUTJYSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AinzPsDSZoy |
|---|---|
| Name | LYCERNUIC-KETONE-B;3-ALPHA,21-BETA,29-TRIHYDROXY-16-OXOSERRAT-14-EN-24-METHYLESTER |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-27-12-9-22-29(3,14-11-24(35)31(22,5)26(36)37-6)21(27)8-7-19-18(16-27)15-20(33)25-28(19,2)13-10-23(34)30(25,4)17-32/h15,19,21-25,32,34-35H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25+,27-,28+,29+,30-,31+/m1/s1 |
| InChIKey | WWVFRAVFOHSRSP-QRHDUTJYSA-N |
| Literature Reference Author | Z.ZHANG,H.N.ELSOHLY,M.R.JACOB,D.S.PASCO,L.A.WALKER,A.M.CLARK |
| Literature Reference Citation | J.NAT.PROD.,65,979(2002) |
| Literature Reference DOI | 10.1021/np0200616 |
| Molecular Weight | 516.719 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4361 |