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#2;SORBIFOLIASIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-(3-O-ANGELOYL-4-O-ACETYL)-BETA-D-GLUCOPYRANOSYL-SANICULAGENIN-C-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BE
SpectraBase Compound ID qnPiIDsIec
InChI InChI=1S/C67H106O31/c1-12-26(2)56(86)97-52-50(83)60(95-34(51(52)91-28(4)70)24-88-58-48(81)45(78)41(74)32(22-69)93-58)96-38-16-17-64(9)35(63(38,7)8)15-18-65(10)36(64)14-13-29-30-19-62(5,6)54(84)55(85)67(30,37(71)20-66(29,65)11)25-89-61-53(98-59-49(82)43(76)39(72)27(3)90-59)46(79)42(75)33(94-61)23-87-57-47(80)44(77)40(73)31(21-68)92-57/h12-13,27,30-36,38-55,57-61,68-69,72-85H,14-25H2,1-11H3/b26-12+/t27-,30-,31+,32+,33+,34+,35-,36+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,57+,58+,59-,60-,61+,64-,65+,66+,67-/m0/s1
InChIKey VBBUYRCPLXOYDR-JBJKTRJPSA-N
Mol Weight 1407.6 g/mol
Molecular Formula C67H106O31
Exact Mass 1406.671807 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDdjbdyOkub
Name #2;SORBIFOLIASIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-(1->6)-(3-O-ANGELOYL-4-O-ACETYL)-BETA-D-GLUCOPYRANOSYL-SANICULAGENIN-C-28-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C67H106O31
InChI InChI=1S/C67H106O31/c1-12-26(2)56(86)97-52-50(83)60(95-34(51(52)91-28(4)70)24-88-58-48(81)45(78)41(74)32(22-69)93-58)96-38-16-17-64(9)35(63(38,7)8)15-18-65(10)36(64)14-13-29-30-19-62(5,6)54(84)55(85)67(30,37(71)20-66(29,65)11)25-89-61-53(98-59-49(82)43(76)39(72)27(3)90-59)46(79)42(75)33(94-61)23-87-57-47(80)44(77)40(73)31(21-68)92-57/h12-13,27,30-36,38-55,57-61,68-69,72-85H,14-25H2,1-11H3/b26-12+/t27-,30-,31+,32+,33+,34+,35-,36+,38-,39-,40+,41+,42+,43+,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54-,55-,57+,58+,59-,60-,61+,64-,65+,66+,67-/m0/s1
InChIKey VBBUYRCPLXOYDR-JBJKTRJPSA-N
Literature Reference Author L.YU,X.TANG,L.CHEN,M.WANG,J.JIAN,S.CAO,X.WANG,N.KANG,F.QIU
Literature Reference Citation FITOTERAPIA,83,1636(2012)
Literature Reference DOI 10.1016/j.fitote.2012.09.015
Molecular Weight 1407.560 g/mol
Sample ID 72120
Solvent C5D5N