| SpectraBase Compound ID | 3OestCHYbMR |
|---|---|
| InChI | InChI=1S/C35H50O10/c1-19(37)41-23-16-21(34(39,18-36)32(7)14-10-12-30(3,4)25(23)32)28-44-29-35(45-28)22(27(40-9)43-29)17-24(42-20(2)38)26-31(5,6)13-11-15-33(26,35)8/h16-18,23-29,39H,10-15H2,1-9H3/t23-,24-,25?,26?,27-,28-,29+,32+,33+,34-,35+/m1/s1 |
| InChIKey | YTRTYDPOBBBIPO-RUPAATKMSA-N |
| Mol Weight | 630.8 g/mol |
| Molecular Formula | C35H50O10 |
| Exact Mass | 630.340398 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Irpyl57liMF |
|---|---|
| Name | CINNAFRAGRIN_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H50O10 |
| InChI | InChI=1S/C35H50O10/c1-19(37)41-23-16-21(34(39,18-36)32(7)14-10-12-30(3,4)25(23)32)28-44-29-35(45-28)22(27(40-9)43-29)17-24(42-20(2)38)26-31(5,6)13-11-15-33(26,35)8/h16-18,23-29,39H,10-15H2,1-9H3/t23-,24-,25?,26?,27-,28-,29+,32+,33+,34-,35+/m1/s1 |
| InChIKey | YTRTYDPOBBBIPO-RUPAATKMSA-N |
| Literature Reference Author | L.HARINANTENAINA,S.TAKAOKA |
| Literature Reference Citation | J.NAT.PROD.,69,1193(2006) |
| Literature Reference DOI | 10.1021/np0601298 |
| Molecular Weight | 630.776 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15583 |