| SpectraBase Compound ID | 38aBq9x5KhK |
|---|---|
| InChI | InChI=1S/C46H82O25/c1-5-6-12-15-23(16-13-10-8-7-9-11-14-17-26(49)50)65-46-41(32(56)29(53)25(19-48)67-46)70-43-37(61)33(57)38(21(3)64-43)68-42-36(60)34(58)39(22(4)63-42)69-45-40(31(55)27(51)20(2)62-45)71-44-35(59)30(54)28(52)24(18-47)66-44/h20-25,27-48,51-61H,5-19H2,1-4H3,(H,49,50)/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+/m0/s1 |
| InChIKey | VEXPYLXJCQJHLW-ZQVDEFTPSA-N |
| Mol Weight | 1035.1 g/mol |
| Molecular Formula | C46H82O25 |
| Exact Mass | 1034.514518 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mI3ge8plSL |
|---|---|
| Name | ARBORESINIC_ACID;(11-S)-HYDROXYHEXYDECANOIC_ACID-11-O-BETA-D-GLUCOPYRANOSYL-(2->1)-O-ALPHA-L-RHAMNOPYRANOSYL-(4->1)-O-ALPHA-L-RHAMNO |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H82O25 |
| InChI | InChI=1S/C46H82O25/c1-5-6-12-15-23(16-13-10-8-7-9-11-14-17-26(49)50)65-46-41(32(56)29(53)25(19-48)67-46)70-43-37(61)33(57)38(21(3)64-43)68-42-36(60)34(58)39(22(4)63-42)69-45-40(31(55)27(51)20(2)62-45)71-44-35(59)30(54)28(52)24(18-47)66-44/h20-25,27-48,51-61H,5-19H2,1-4H3,(H,49,50)/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+/m0/s1 |
| InChIKey | VEXPYLXJCQJHLW-ZQVDEFTPSA-N |
| Literature Reference Author | I.LEON,G.MIRON,D.ALONSO |
| Literature Reference Citation | J.NAT.PROD.,69,896(2006) |
| Literature Reference DOI | 10.1021/np0600604 |
| Molecular Weight | 1035.142 g/mol |
| Solvent | D2O |
| Source File Reference | UWMZ18550 |