| SpectraBase Compound ID | GikMPY5AlNK |
|---|---|
| InChI | InChI=1S/C30H50O5/c1-25(2)18-10-16-30(35)17-26(3)13-9-20-28(5,15-12-23(32)29(20,6)24(33)34)19(26)7-8-21(30)27(18,4)14-11-22(25)31/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18?,19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m1/s1 |
| InChIKey | KJEMTTTXNNLOSG-VDUDIKHWSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C30H50O5 |
| Exact Mass | 490.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LTa4igA08Ti |
|---|---|
| Name | LYCERNUIC-ACID-E;3-BETA,14-BETA,21-BETA-TRIHYDROXYSERRATANE-24-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O5 |
| InChI | InChI=1S/C30H50O5/c1-25(2)18-10-16-30(35)17-26(3)13-9-20-28(5,15-12-23(32)29(20,6)24(33)34)19(26)7-8-21(30)27(18,4)14-11-22(25)31/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18?,19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m1/s1 |
| InChIKey | KJEMTTTXNNLOSG-VDUDIKHWSA-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 | 490.724 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWSI4358 |