| SpectraBase Compound ID | 2FqfHlz6Q6T |
|---|---|
| InChI | InChI=1S/C27H29BrO14/c1-9-18(32)21(35)23(37)26(38-9)42-25-22(36)19(33)15(8-29)41-27(25)39-12-6-13(31)16-14(7-12)40-24(17(28)20(16)34)10-2-4-11(30)5-3-10/h2-7,9,15,18-19,21-23,25-27,29-33,35-37H,8H2,1H3/t9-,15+,18-,19+,21+,22-,23+,25+,26-,27+/m1/s1 |
| InChIKey | CLSKPUZARHHYIQ-NMUYDEQSSA-N |
| Mol Weight | 657.42 g/mol |
| Molecular Formula | C27H29BrO14 |
| Exact Mass | 656.074069 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZBhgTaRL3H |
|---|---|
| Name | 3-BROMORHOIFOLIN |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H29BrO14 |
| InChI | InChI=1S/C27H29BrO14/c1-9-18(32)21(35)23(37)26(38-9)42-25-22(36)19(33)15(8-29)41-27(25)39-12-6-13(31)16-14(7-12)40-24(17(28)20(16)34)10-2-4-11(30)5-3-10/h2-7,9,15,18-19,21-23,25-27,29-33,35-37H,8H2,1H3/t9-,15+,18-,19+,21+,22-,23+,25+,26-,27+/m1/s1 |
| InChIKey | CLSKPUZARHHYIQ-NMUYDEQSSA-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 | 657.423 g/mol |
| Sample ID | 41005 |
| Solvent | DMSO-D6 |