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15-BETA-HYDROXYLINEOLON-3-O-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANO
SpectraBase Compound ID AtLfGVdgFmo
InChI InChI=1S/C61H100O26/c1-26(63)34-18-43(66)61(71)59(34,8)42(65)24-41-58(7)15-14-33(17-32(58)13-16-60(41,61)70)81-44-19-35(64)52(27(2)76-44)83-45-20-36(72-9)53(28(3)77-45)84-46-21-37(73-10)54(29(4)78-46)85-47-22-38(74-11)55(30(5)79-47)86-48-23-39(75-12)56(31(6)80-48)87-57-51(69)50(68)49(67)40(25-62)82-57/h13,27-31,33-57,62,64-71H,14-25H2,1-12H3/t27-,28-,29+,30-,31+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46-,47+,48-,49-,50-,51-,52-,53-,54+,55-,56+,57+,58-,59-,60-,61+/m0/s1
InChIKey VMZHXPBSDBVMOS-MPMDUDBJSA-N
Mol Weight 1249.4 g/mol
Molecular Formula C61H100O26
Exact Mass 1248.650283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5U25yD4Iwgm
Name 15-BETA-HYDROXYLINEOLON-3-O-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANO
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C61H100O26
InChI InChI=1S/C61H100O26/c1-26(63)34-18-43(66)61(71)59(34,8)42(65)24-41-58(7)15-14-33(17-32(58)13-16-60(41,61)70)81-44-19-35(64)52(27(2)76-44)83-45-20-36(72-9)53(28(3)77-45)84-46-21-37(73-10)54(29(4)78-46)85-47-22-38(74-11)55(30(5)79-47)86-48-23-39(75-12)56(31(6)80-48)87-57-51(69)50(68)49(67)40(25-62)82-57/h13,27-31,33-57,62,64-71H,14-25H2,1-12H3/t27-,28-,29+,30-,31+,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,45+,46-,47+,48-,49-,50-,51-,52-,53-,54+,55-,56+,57+,58-,59-,60-,61+/m0/s1
InChIKey VMZHXPBSDBVMOS-MPMDUDBJSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,48,99(2000)
Literature Reference DOI 10.1248/cpb.48.99
Molecular Weight 1249.449 g/mol
Solvent C5D5N
Source File Reference UWLU4822