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29-NOR-1,2,3,4,5,10-HEXADEHYDRO-2-O-BETA-D-TETRA-O-ACETYLGLUCOPYRANOSYL-20R-HYDROXY-3,16-ALPHA,25-TRIACETOXY-11,22-DIOXOCUCURBITA-6,23-DIENE
SpectraBase Compound ID 9f93vWRJ470
InChI InChI=1S/C49H62O19/c1-23-31-15-16-36-46(11)20-34(61-25(3)51)43(49(14,59)37(57)17-18-45(9,10)68-30(8)56)47(46,12)21-38(58)48(36,13)32(31)19-33(39(23)62-26(4)52)66-44-42(65-29(7)55)41(64-28(6)54)40(63-27(5)53)35(67-44)22-60-24(2)50/h15-19,34-36,40-44,59H,20-22H2,1-14H3/b18-17+/t34-,35+,36+,40+,41-,42+,43+,44+,46+,47-,48+,49?/m1/s1
InChIKey CIIXBPPVMHZBCP-QBBISJMZSA-N
Mol Weight 955.0 g/mol
Molecular Formula C49H62O19
Exact Mass 954.38853 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2VKxWdmoDG
Name 29-NOR-1,2,3,4,5,10-HEXADEHYDRO-2-O-BETA-D-TETRA-O-ACETYLGLUCOPYRANOSYL-20R-HYDROXY-3,16-ALPHA,25-TRIACETOXY-11,22-DIOXOCUCURBITA-6,23-DIENE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H62O19
InChI InChI=1S/C49H62O19/c1-23-31-15-16-36-46(11)20-34(61-25(3)51)43(49(14,59)37(57)17-18-45(9,10)68-30(8)56)47(46,12)21-38(58)48(36,13)32(31)19-33(39(23)62-26(4)52)66-44-42(65-29(7)55)41(64-28(6)54)40(63-27(5)53)35(67-44)22-60-24(2)50/h15-19,34-36,40-44,59H,20-22H2,1-14H3/b18-17+/t34-,35+,36+,40+,41-,42+,43+,44+,46+,47-,48+,49?/m1/s1
InChIKey CIIXBPPVMHZBCP-QBBISJMZSA-N
Literature Reference Author M.E.O.MATOS,M.I.L.MACHADO,A.A.CRAVEIRO,F.J.A.MATOS,R.BRAZ-FI LHO
Literature Reference Citation PHYTOCHEM.,30,1020(1991)
Literature Reference DOI 10.1016/0031-9422(91)85301-F
Molecular Weight 955.020 g/mol
Solvent CDCl3
Source File Reference UWLU34140