| SpectraBase Compound ID | 3KgFaOi51A4 |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-18(2)20-11-14-28(6)24(31)17-30(8)22(26(20)28)9-10-23-27(5,15-13-25(32)33)21(19(3)4)12-16-29(23,30)7/h19-24,26,31H,1,9-17H2,2-8H3,(H,32,33)/t20-,21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | XBUQFYUMLKNVRE-YYROTYDYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 354tPmeamgC |
|---|---|
| Name | 16-BETA-3,4-SECOLUP-20-(29)-EN-3-OIC_ACID |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-18(2)20-11-14-28(6)24(31)17-30(8)22(26(20)28)9-10-23-27(5,15-13-25(32)33)21(19(3)4)12-16-29(23,30)7/h19-24,26,31H,1,9-17H2,2-8H3,(H,32,33)/t20-,21-,22+,23+,24-,26+,27-,28+,29+,30+/m0/s1 |
| InChIKey | XBUQFYUMLKNVRE-YYROTYDYSA-N |
| Literature Reference Author | N.E.J.VAZDEKIS,H.CHAVEZ,A.ESTEVEZ-BRAUN,A.G.RAVELO |
| Literature Reference Citation | J.NAT.PROD.,72,1045(2009) |
| Literature Reference DOI | 10.1021/np800594a |
| Molecular Weight | 458.725 g/mol |
| Sample ID | 32715 |
| Solvent | CDCl3 |