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TORVOSIDE-D;NEOSOLASPIGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE]
SpectraBase Compound ID 8BRNxuPdqVd
InChI InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18-,19-,20?,21?,22?,23+,24-,25-,26?,27+,28?,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-/m0/s1
InChIKey FOCICMJCJFCWOL-XZHUDTNLSA-N
Mol Weight 726.9 g/mol
Molecular Formula C38H62O13
Exact Mass 726.419042 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BuBSsSfSe1a
Name TORVOSIDE-D;NEOSOLASPIGENIN-6-O-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-QUINOVOPYRANOSIDE]
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H62O13
InChI InChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3/t16-,17-,18-,19-,20?,21?,22?,23+,24-,25-,26?,27+,28?,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-/m0/s1
InChIKey FOCICMJCJFCWOL-XZHUDTNLSA-N
Literature Reference Author S.YAHARA,T.YAMASHITA,N.NOZAWA,T.NOHARA
Literature Reference Citation PHYTOCHEM.,43,1069(1996)
Literature Reference DOI 10.1016/S0031-9422(96)00396-2
Molecular Weight 726.902 g/mol
Solvent C5D5N
Source File Reference UWMS2307