| SpectraBase Compound ID | ImMQGagAtXJ |
|---|---|
| InChI | InChI=1S/C29H42O4/c1-16-9-7-11-20-13-24(22(19(4)30)15-28(16,20)5)32-27-18(3)21-14-29(6)17(2)10-8-12-23(29)25(31)26(21)33-27/h16-17,20,23,25,31H,7-15H2,1-6H3/t16-,17-,20+,23+,25-,28+,29+/m0/s1 |
| InChIKey | NZBIQFAHPKZEGM-WBPHEPMBSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C29H42O4 |
| Exact Mass | 454.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AnCYPonl63 |
|---|---|
| Name | LIGULAMULIENIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H42O4 |
| InChI | InChI=1S/C29H42O4/c1-16-9-7-11-20-13-24(22(19(4)30)15-28(16,20)5)32-27-18(3)21-14-29(6)17(2)10-8-12-23(29)25(31)26(21)33-27/h16-17,20,23,25,31H,7-15H2,1-6H3/t16-,17-,20+,23+,25-,28+,29+/m0/s1 |
| InChIKey | NZBIQFAHPKZEGM-WBPHEPMBSA-N |
| Literature Reference Author | D.Q.FEI,Q.H.WU,S.G.LI,K.GAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,467(2010) |
| Literature Reference DOI | 10.1248/cpb.58.467 |
| Molecular Weight | 454.650 g/mol |
| Sample ID | 3443 |
| Solvent | CDCl3 |
| SpectraBase Batch ID | 2HGvNKJZR5G |