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SUAVISSIMOSIDE-F1;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 1iCaLnGvAGy
InChI InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21?,22?,23-,24+,25-,26?,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1
InChIKey YXSQSVWHKZZWDD-YNAOJVPESA-N
Mol Weight 680.8 g/mol
Molecular Formula C36H56O12
Exact Mass 680.377177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AhHs3pRHDM8
Name SUAVISSIMOSIDE-F1;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-EN-23,28-DIOIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O12
InChI InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21?,22?,23-,24+,25-,26?,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1
InChIKey YXSQSVWHKZZWDD-YNAOJVPESA-N
Literature Reference Author S.SHIGENAGA,I.KUONO,N.KAWANO
Literature Reference Citation PHYTOCHEM.,24,115(1985)
Literature Reference DOI 10.1016/S0031-9422(00)80818-3
Molecular Weight 680.833 g/mol
Solvent PYRIDINE-D5
Source File Reference UWCS8866