| SpectraBase Compound ID | 2fjgperI5om |
|---|---|
| InChI | InChI=1S/C51H70O14/c1-26(53)59-32-22-30(50(57,25-52)48(11)20-14-17-44(4,5)37(32)48)42-64-43-51(65-42)31(23-33(60-27(2)54)38-45(6,7)18-15-21-49(38,51)12)41(63-43)62-35-29-24-58-40(56)34(29)47(10)19-13-16-46(8,9)39(47)36(35)61-28(3)55/h22-23,25,32-33,35-39,41-43,57H,13-21,24H2,1-12H3/t32-,33-,35+,36-,37?,38?,39?,41+,42-,43+,47-,48+,49+,50-,51+/m1/s1 |
| InChIKey | YTOQPRPHVXEGPA-QFZGMYEPSA-N |
| Mol Weight | 907.1 g/mol |
| Molecular Formula | C51H70O14 |
| Exact Mass | 906.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4fjxO25mEY |
|---|---|
| Name | CINNAFRAGRIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H70O14 |
| InChI | InChI=1S/C51H70O14/c1-26(53)59-32-22-30(50(57,25-52)48(11)20-14-17-44(4,5)37(32)48)42-64-43-51(65-42)31(23-33(60-27(2)54)38-45(6,7)18-15-21-49(38,51)12)41(63-43)62-35-29-24-58-40(56)34(29)47(10)19-13-16-46(8,9)39(47)36(35)61-28(3)55/h22-23,25,32-33,35-39,41-43,57H,13-21,24H2,1-12H3/t32-,33-,35+,36-,37?,38?,39?,41+,42-,43+,47-,48+,49+,50-,51+/m1/s1 |
| InChIKey | YTOQPRPHVXEGPA-QFZGMYEPSA-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 | 907.108 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ15586 |