| SpectraBase Compound ID | F9npITIAJDk |
|---|---|
| InChI | InChI=1S/C31H36O16/c1-12-28(44-13(2)32)25(37)27(39)30(43-12)42-11-20-22(34)24(36)26(38)31(47-20)46-19-10-18-21(23(35)29(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22,24-28,30-31,34-39H,11H2,1-4H3/t12-,20+,22+,24-,25-,26+,27+,28-,30+,31+/m0/s1 |
| InChIKey | PXJGTASAGKWQQJ-NUBBFWLOSA-N |
| Mol Weight | 664.6 g/mol |
| Molecular Formula | C31H36O16 |
| Exact Mass | 664.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Cq6cCUCGDs |
|---|---|
| Name | LINARIIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O16 |
| InChI | InChI=1S/C31H36O16/c1-12-28(44-13(2)32)25(37)27(39)30(43-12)42-11-20-22(34)24(36)26(38)31(47-20)46-19-10-18-21(23(35)29(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22,24-28,30-31,34-39H,11H2,1-4H3/t12-,20+,22+,24-,25-,26+,27+,28-,30+,31+/m0/s1 |
| InChIKey | PXJGTASAGKWQQJ-NUBBFWLOSA-N |
| Literature Reference Author | H.OTSUKA |
| Literature Reference Citation | J.NAT.PROD.,55,1252(1992) |
| Literature Reference DOI | 10.1021/np50087a011 |
| Molecular Weight | 664.617 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWTS561 |