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(25R)-2-ALPHA,3-BETA-DIHYDROXY-5-ALPHA-SPIROST-9-EN-12-ONE-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRAN
SpectraBase Compound ID 6MAQaUopM6N
InChI InChI=1S/C50H78O24/c1-18-7-8-50(66-16-18)19(2)32-27(74-50)10-23-21-6-5-20-9-26(24(54)12-48(20,3)22(21)11-31(56)49(23,32)4)67-45-40(64)37(61)41(30(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)28(13-51)68-46)42(35(59)29(14-52)69-47)72-44-38(62)33(57)25(55)17-65-44/h11,18-21,23-30,32-47,51-55,57-64H,5-10,12-17H2,1-4H3/t18-,19-,20-,21?,23?,24+,25-,26+,27?,28+,29+,30-,32?,33+,34+,35+,36-,37-,38-,39+,40-,41+,42-,43+,44+,45-,46-,47-,48-,49+,50+/m0/s1
InChIKey LELLSYYSZQISHN-NUIODLPKSA-N
Mol Weight 1063.1 g/mol
Molecular Formula C50H78O24
Exact Mass 1062.488303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2F7UHc3eF3R
Name (25R)-2-ALPHA,3-BETA-DIHYDROXY-5-ALPHA-SPIROST-9-EN-12-ONE-3-O-[O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRAN
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H78O24
InChI InChI=1S/C50H78O24/c1-18-7-8-50(66-16-18)19(2)32-27(74-50)10-23-21-6-5-20-9-26(24(54)12-48(20,3)22(21)11-31(56)49(23,32)4)67-45-40(64)37(61)41(30(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)28(13-51)68-46)42(35(59)29(14-52)69-47)72-44-38(62)33(57)25(55)17-65-44/h11,18-21,23-30,32-47,51-55,57-64H,5-10,12-17H2,1-4H3/t18-,19-,20-,21?,23?,24+,25-,26+,27?,28+,29+,30-,32?,33+,34+,35+,36-,37-,38-,39+,40-,41+,42-,43+,44+,45-,46-,47-,48-,49+,50+/m0/s1
InChIKey LELLSYYSZQISHN-NUIODLPKSA-N
Literature Reference Author Y.MIMAKI,M.KURODA,A.KAMEYAMA,A.YOKOSUKA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,48,1361(1998)
Literature Reference DOI 10.1016/S0031-9422(98)00157-5
Molecular Weight 1063.155 g/mol
Solvent C5D5N
Source File Reference UWMS1476