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SANSEVISTATIN_2;3-O-BETA-O-[ALPHA-L-ARABINOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-(25R)-SPIROST-5-ENE
SpectraBase Compound ID CZBUF0zXTfq
InChI InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-35(51)33(49)31(47)21(3)55-40)36(52)37(29(16-45)57-41)58-39-34(50)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1
InChIKey HSOMTBUZSIVDQK-IPKCVOQPSA-N
Mol Weight 855.0 g/mol
Molecular Formula C44H70O16
Exact Mass 854.466386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Ct2wdT7VEF
Name SANSEVISTATIN_2;3-O-BETA-O-[ALPHA-L-ARABINOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-GLUCOPYRANOSYL]-(25R)-SPIROST-5-ENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H70O16
InChI InChI=1S/C44H70O16/c1-19-8-13-44(54-17-19)20(2)30-28(60-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,30)5)56-41-38(59-40-35(51)33(49)31(47)21(3)55-40)36(52)37(29(16-45)57-41)58-39-34(50)32(48)27(46)18-53-39/h6,19-21,23-41,45-52H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-/m1/s1
InChIKey HSOMTBUZSIVDQK-IPKCVOQPSA-N
Literature Reference Author G.R.PETTIT,Q.ZHANG,V.PINILLA,H.HOFFMANN,J.C.KNIGHT,D.L.DOUBE K,J.C.CHAPUIS,R.K.PE
Literature Reference Citation J.NAT.PROD.,68,729(2005)
Literature Reference DOI 10.1021/np040203r
Molecular Weight 855.030 g/mol
Solvent C5D5N