| SpectraBase Compound ID | IuUO81d3MWR |
|---|---|
| InChI | InChI=1S/C46H82O24/c1-6-7-13-16-24(17-14-11-9-8-10-12-15-18-26(48)49)65-45-40(31(54)27(50)20(2)61-45)69-43-37(60)33(56)38(22(4)64-43)67-42-36(59)34(57)39(23(5)63-42)68-46-41(32(55)28(51)21(3)62-46)70-44-35(58)30(53)29(52)25(19-47)66-44/h20-25,27-47,50-60H,6-19H2,1-5H3,(H,48,49)/t20-,21+,22+,23-,24?,25+,27-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,43+,44-,45+,46+/m1/s1 |
| InChIKey | VEQGTIRNMVSFCH-VTSDQLAJSA-N |
| Mol Weight | 1019.1 g/mol |
| Molecular Formula | C46H82O24 |
| Exact Mass | 1018.519603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ufkENpjuG3 |
|---|---|
| Name | MURUCINIC_ACID;(11-S)-HYDROXYHEXADECANOIC_ACID_11-O-BETA-D-QUINOVOPYRANOSYL-(2->1)-O-ALPHA-L-RHAMNOPYRANOSYL-(4->1)-O-ALPHA-L-RHAMNO |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H82O24 |
| InChI | InChI=1S/C46H82O24/c1-6-7-13-16-24(17-14-11-9-8-10-12-15-18-26(48)49)65-45-40(31(54)27(50)20(2)61-45)69-43-37(60)33(56)38(22(4)64-43)67-42-36(59)34(57)39(23(5)63-42)68-46-41(32(55)28(51)21(3)62-46)70-44-35(58)30(53)29(52)25(19-47)66-44/h20-25,27-47,50-60H,6-19H2,1-5H3,(H,48,49)/t20-,21+,22+,23-,24?,25+,27-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41-,42-,43+,44-,45+,46+/m1/s1 |
| InChIKey | VEQGTIRNMVSFCH-VTSDQLAJSA-N |
| Literature Reference Author | I.LEON,R.G.ENRIQUEZ,D.A.NIETO,D.ALONSO,W.F.REYNOLDS,E.ARANDA ,J.VILLA |
| Literature Reference Citation | J.NAT.PROD.,68,1141(2005) |
| Literature Reference DOI | 10.1021/np050075m |
| Molecular Weight | 1019.143 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ12172 |