SpectraBase Compound ID | 8EstSo03fQE |
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InChI | InChI=1S/C48H77NO17/c1-22(50)49-32-36(57)35(56)27(21-63-41-38(34(55)26(52)20-62-41)66-40-37(58)33(54)25(51)19-61-40)64-39(32)65-31-12-13-45(6)28(44(31,4)5)11-14-46(7)29(45)10-9-23-24-17-43(2,3)15-16-48(24,42(59)60)30(53)18-47(23,46)8/h9,24-41,51-58H,10-21H2,1-8H3,(H,49,50)(H,59,60)/t24-,25+,26-,27+,28?,29?,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1 |
InChIKey | MLRZPRGBFKQPOT-YRIIPJKZSA-N |
Mol Weight | 940.1 g/mol |
Molecular Formula | C48H77NO17 |
Exact Mass | 939.51915 g/mol |
SpectraBase Spectrum ID | Bh4VuHtrza0 |
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Name | ACACIOSIDE-A;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C48H77NO17 |
InChI | InChI=1S/C48H77NO17/c1-22(50)49-32-36(57)35(56)27(21-63-41-38(34(55)26(52)20-62-41)66-40-37(58)33(54)25(51)19-61-40)64-39(32)65-31-12-13-45(6)28(44(31,4)5)11-14-46(7)29(45)10-9-23-24-17-43(2,3)15-16-48(24,42(59)60)30(53)18-47(23,46)8/h9,24-41,51-58H,10-21H2,1-8H3,(H,49,50)(H,59,60)/t24-,25+,26-,27+,28?,29?,30+,31-,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,45-,46+,47+,48+/m0/s1 |
InChIKey | MLRZPRGBFKQPOT-YRIIPJKZSA-N |
Literature Reference Author | Y.SEO,J.HOCH,M.ABDEL-KADER,S.MALONE,I.DERVELD,H.ADAMS,M.C.M. WERKHOVEN,J.H.WISSE, |
Literature Reference Citation | J.NAT.PROD.,65,170(2002) |
Literature Reference DOI | 10.1021/np0103620 |
Molecular Weight | 940.136 g/mol |
Solvent | CD3OD |
Source File Reference | UWSI2775 |