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#4;MUSSAENDOSIDE-W;3-O-([BETA-D-GLUCOPYRANOSYL-(1->6)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA
SpectraBase Compound ID 7jKpsckqpnQ
InChI InChI=1S/C60H96O27/c1-24(9-8-10-25(2)50(76)77)27-13-15-58(7)33-12-11-32-56(4,5)34(14-16-59(32)23-60(33,59)18-17-57(27,58)6)84-55-49(47(39(68)30(21-63)82-55)85-53-46(75)42(71)37(66)29(20-62)81-53)87-54-48(86-52-45(74)40(69)35(64)26(3)79-52)43(72)38(67)31(83-54)22-78-51-44(73)41(70)36(65)28(19-61)80-51/h8-10,24,26-49,51-55,61-75H,11-23H2,1-7H3,(H,76,77)/b9-8+,25-10+/t24-,26+,27?,28-,29-,30-,31-,32?,33+,34+,35+,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47+,48-,49-,51-,52-,53+,54+,55+,57-,58+,59-,60+/m1/s1
InChIKey PKFILTNFIVXAID-MSIYDFAASA-N
Mol Weight 1249.4 g/mol
Molecular Formula C60H96O27
Exact Mass 1248.613898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmXtU5b8oAm
Name #4;MUSSAENDOSIDE-W;3-O-([BETA-D-GLUCOPYRANOSYL-(1->6)]-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H96O27
InChI InChI=1S/C60H96O27/c1-24(9-8-10-25(2)50(76)77)27-13-15-58(7)33-12-11-32-56(4,5)34(14-16-59(32)23-60(33,59)18-17-57(27,58)6)84-55-49(47(39(68)30(21-63)82-55)85-53-46(75)42(71)37(66)29(20-62)81-53)87-54-48(86-52-45(74)40(69)35(64)26(3)79-52)43(72)38(67)31(83-54)22-78-51-44(73)41(70)36(65)28(19-61)80-51/h8-10,24,26-49,51-55,61-75H,11-23H2,1-7H3,(H,76,77)/b9-8+,25-10+/t24-,26+,27?,28-,29-,30-,31-,32?,33+,34+,35+,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46-,47+,48-,49-,51-,52-,53+,54+,55+,57-,58+,59-,60+/m1/s1
InChIKey PKFILTNFIVXAID-MSIYDFAASA-N
Literature Reference Author N.C.KIM,A.E.DESJARDINS,C.D.WU,A.D.KINGHORN
Literature Reference Citation J.NAT.PROD.,62,1379(1999)
Literature Reference DOI 10.1021/np9901579
Molecular Weight 1249.406 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS20821