| SpectraBase Compound ID | IF91Zuy75UY |
|---|---|
| InChI | InChI=1S/C35H40O19/c1-13(37)49-10-20-25(39)28(42)29(43)34(51-20)54-35(12-36)31-27(41)21(53-35)11-50-32(44)16-7-15-9-19(47-3)26(40)30(48-4)23(15)22(24(16)33(45)52-31)14-5-6-17(38)18(8-14)46-2/h5-9,20-22,24-25,27-29,31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,22-,24+,25-,27-,28+,29-,31+,34-,35+/m1/s1 |
| InChIKey | PKBCQPPURBFDJW-LCCFSMFLSA-N |
| Mol Weight | 764.7 g/mol |
| Molecular Formula | C35H40O19 |
| Exact Mass | 764.216379 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSSxPyVP9Ex |
|---|---|
| Name | TRIGONOTIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H40O19 |
| InChI | InChI=1S/C35H40O19/c1-13(37)49-10-20-25(39)28(42)29(43)34(51-20)54-35(12-36)31-27(41)21(53-35)11-50-32(44)16-7-15-9-19(47-3)26(40)30(48-4)23(15)22(24(16)33(45)52-31)14-5-6-17(38)18(8-14)46-2/h5-9,20-22,24-25,27-29,31,34,36,38-43H,10-12H2,1-4H3/t20-,21-,22-,24+,25-,27-,28+,29-,31+,34-,35+/m1/s1 |
| InChIKey | PKBCQPPURBFDJW-LCCFSMFLSA-N |
| Literature Reference Author | H.OTSUKA,H.KUWABARA,H.HOSHIYAMA |
| Literature Reference Citation | J.NAT.PROD.,71,1178(2008) |
| Literature Reference DOI | 10.1021/np800071r |
| Molecular Weight | 764.691 g/mol |
| Sample ID | 28640 |
| Solvent | CD3OD |