| SpectraBase Compound ID | DAQcPcWqyrP |
|---|---|
| InChI | InChI=1S/C37H58O11/c1-11-15-26(40)46-32-29(20(5)6)30-23-18-21(7)31(43)33(44-22(8)38)34(47-27(41)16-12-2)36(23,9)19-24(45-25(39)14-4)37(30,10)35(32)48-28(42)17-13-3/h18,20,23-24,29-35,43H,11-17,19H2,1-10H3/t23-,24+,29-,30+,31+,32-,33+,34-,35+,36-,37+/m1/s1 |
| InChIKey | KIYAOSXQIPPTIE-NHSDXWANSA-N |
| Mol Weight | 678.9 g/mol |
| Molecular Formula | C37H58O11 |
| Exact Mass | 678.397913 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7VGYnWJonT8 |
|---|---|
| Name | GAGUNIN_H;5-ACETOXY-6,11,12-TRIBUTYROXY-4-HYDROXY-9-PROPYROXYHOMOVERRUCOSA-2-ENE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H58O11 |
| InChI | InChI=1S/C37H58O11/c1-11-15-26(40)46-32-29(20(5)6)30-23-18-21(7)31(43)33(44-22(8)38)34(47-27(41)16-12-2)36(23,9)19-24(45-25(39)14-4)37(30,10)35(32)48-28(42)17-13-3/h18,20,23-24,29-35,43H,11-17,19H2,1-10H3/t23-,24+,29-,30+,31+,32-,33+,34-,35+,36-,37+/m1/s1 |
| InChIKey | KIYAOSXQIPPTIE-NHSDXWANSA-N |
| Literature Reference Author | K.H.JANG,J.JEON,S.RYU,H.S.LEE,K.B.OH,J.SHIN |
| Literature Reference Citation | J.NAT.PROD.,71,1701(2008) |
| Literature Reference DOI | 10.1021/np800293y |
| Molecular Weight | 678.861 g/mol |
| Sample ID | 29132 |
| Solvent | CDCl3 |