| SpectraBase Compound ID | HQ7bk2ega6v |
|---|---|
| InChI | InChI=1S/C31H36O16/c1-12-22(34)26(38)29(44-13(2)32)31(43-12)42-11-20-23(35)25(37)27(39)30(47-20)46-19-10-18-21(24(36)28(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22-23,25-27,29-31,34-39H,11H2,1-4H3/t12-,20+,22-,23+,25-,26+,27+,29+,30+,31+/m0/s1 |
| InChIKey | MGBQEYYOKCRLKS-BEQKOPLYSA-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 | ArRdNIrDGz0 |
|---|---|
| Name | ISOLINARIIN-A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H36O16 |
| InChI | InChI=1S/C31H36O16/c1-12-22(34)26(38)29(44-13(2)32)31(43-12)42-11-20-23(35)25(37)27(39)30(47-20)46-19-10-18-21(24(36)28(19)41-4)16(33)9-17(45-18)14-5-7-15(40-3)8-6-14/h5-10,12,20,22-23,25-27,29-31,34-39H,11H2,1-4H3/t12-,20+,22-,23+,25-,26+,27+,29+,30+,31+/m0/s1 |
| InChIKey | MGBQEYYOKCRLKS-BEQKOPLYSA-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 | UWTS562 |