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(23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(2,3-O-DIACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]
SpectraBase Compound ID DSt5jkS8Lx3
InChI InChI=1S/C53H80O24/c1-19-16-68-53(46(65)41(19)74-48-40(64)38(62)35(59)21(3)69-48)20(2)34-32(77-53)15-29-27-10-9-25-13-26(56)14-33(52(25,8)28(27)11-12-51(29,34)7)73-49-44(42(31(58)18-67-49)75-47-39(63)37(61)30(57)17-66-47)76-50-45(72-24(6)55)43(71-23(5)54)36(60)22(4)70-50/h9,20-22,26-50,56-65H,1,10-18H2,2-8H3/t20-,21-,22+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48+,49+,50+,51-,52-,53-/m0/s1
InChIKey RWPSTCVZWNKCKB-BSBDBEDYSA-N
Mol Weight 1101.2 g/mol
Molecular Formula C53H80O24
Exact Mass 1100.503953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JTmeWzr99Ee
Name (23S,24S)-SPIROSTA-5,25(27)-DIENE-1-BETA,3-BETA,23,24-TETROL-1-O-[O-(2,3-O-DIACETYL-ALPHA-L-RHAMNOPYRANOSYL)-(1->2)-O-[BETA-D-XYLOPARANOSYL-(1->3)]
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H80O24
InChI InChI=1S/C53H80O24/c1-19-16-68-53(46(65)41(19)74-48-40(64)38(62)35(59)21(3)69-48)20(2)34-32(77-53)15-29-27-10-9-25-13-26(56)14-33(52(25,8)28(27)11-12-51(29,34)7)73-49-44(42(31(58)18-67-49)75-47-39(63)37(61)30(57)17-66-47)76-50-45(72-24(6)55)43(71-23(5)54)36(60)22(4)70-50/h9,20-22,26-50,56-65H,1,10-18H2,2-8H3/t20-,21-,22+,26+,27+,28-,29-,30+,31+,32-,33+,34-,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-,46-,47-,48+,49+,50+,51-,52-,53-/m0/s1
InChIKey RWPSTCVZWNKCKB-BSBDBEDYSA-N
Literature Reference Author Y.MIMAKI,T.INOUE,M.KURODA,Y.SASHIDA
Literature Reference Citation PHYTOCHEM.,43,1325(1996)
Literature Reference DOI 10.1016/S0031-9422(96)00397-4
Molecular Weight 1101.204 g/mol
Solvent C5D5N
Source File Reference UWMS2427