| SpectraBase Compound ID | 8HLEGwVThhY |
|---|---|
| InChI | InChI=1S/C28H31BrO14/c1-10-19(31)22(34)24(36)27(40-10)39-9-16-20(32)23(35)25(37)28(43-16)41-13-7-14(30)17-15(8-13)42-26(18(29)21(17)33)11-3-5-12(38-2)6-4-11/h3-8,10,16,19-20,22-25,27-28,30-32,34-37H,9H2,1-2H3/t10-,16+,19-,20+,22+,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | XAYJJRYBLNWGML-WKNQULGJSA-N |
| Mol Weight | 671.45 g/mol |
| Molecular Formula | C28H31BrO14 |
| Exact Mass | 670.089719 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CMQc344W5r |
|---|---|
| Name | 3-BROMOLINARIN |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H31BrO14 |
| InChI | InChI=1S/C28H31BrO14/c1-10-19(31)22(34)24(36)27(40-10)39-9-16-20(32)23(35)25(37)28(43-16)41-13-7-14(30)17-15(8-13)42-26(18(29)21(17)33)11-3-5-12(38-2)6-4-11/h3-8,10,16,19-20,22-25,27-28,30-32,34-37H,9H2,1-2H3/t10-,16+,19-,20+,22+,23-,24+,25+,27+,28+/m1/s1 |
| InChIKey | XAYJJRYBLNWGML-WKNQULGJSA-N |
| Literature Reference Author | G.LEWIN,A.MACIUK,A.MONCOMBLE,J.P.CORNARD |
| Literature Reference Citation | J.NAT.PROD.,76,8(2013) |
| Literature Reference DOI | 10.1021/np300460a |
| Molecular Weight | 671.450 g/mol |
| Sample ID | 41004 |
| Solvent | DMSO-D6 |