SpectraBase Compound ID | 8lN69zTYmMz |
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InChI | InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23?,24-,25-,26+,27+,28?,29?,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1 |
InChIKey | AZFFBGWLLZUTDW-XWMFSUNFSA-N |
Mol Weight | 1061.2 g/mol |
Molecular Formula | C52H84O22 |
Exact Mass | 1060.545424 g/mol |
SpectraBase Spectrum ID | K3hY5GILQp4 |
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Name | PITHEDULOSIDE-K;3-O-ALPHA-L-ARBINOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->6)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSIDE |
Compound Number | 4 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C52H84O22 |
InChI | InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23?,24-,25-,26+,27+,28?,29?,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1 |
InChIKey | AZFFBGWLLZUTDW-XWMFSUNFSA-N |
Literature Reference Author | K.YOSHIKAWA,Y.SUZAKI,M.TANAKA,S.ARIHARA,S.K.NIGAM |
Literature Reference Citation | J.NAT.PROD.,60,1269(1997) |
Literature Reference DOI | 10.1021/np9703555 |
Molecular Weight | 1061.226 g/mol |
Solvent | C5D5N |
Source File Reference | UWRU338 |