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CAMELLIATANNIN-A
SpectraBase Compound ID BRXb0EBURpw
InChI InChI=1S/C49H36O27/c50-15-2-1-10(3-17(15)52)41-22(57)4-11-16(51)8-18(53)27(42(11)73-41)30-29-31-28(38(65)40(67)39(29)66)26-14(7-21(56)34(61)37(26)64)48(70)76-45(44(30)75-49(31)71)43-23(58)9-72-46(68)12-5-19(54)32(59)35(62)24(12)25-13(47(69)74-43)6-20(55)33(60)36(25)63/h1-3,5-8,22-23,30,41,43-45,50-67H,4,9H2/t22-,23+,30+,41-,43-,44-,45+/m1/s1
InChIKey VFRPPNXPLILJQH-OSFHRZBBSA-N
Mol Weight 1056.8 g/mol
Molecular Formula C49H36O27
Exact Mass 1056.144396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bqSVaeDbN0
Name CAMELLIATANNIN-A
Compound Number IX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H36O27
InChI InChI=1S/C49H36O27/c50-15-2-1-10(3-17(15)52)41-22(57)4-11-16(51)8-18(53)27(42(11)73-41)30-29-31-28(38(65)40(67)39(29)66)26-14(7-21(56)34(61)37(26)64)48(70)76-45(44(30)75-49(31)71)43-23(58)9-72-46(68)12-5-19(54)32(59)35(62)24(12)25-13(47(69)74-43)6-20(55)33(60)36(25)63/h1-3,5-8,22-23,30,41,43-45,50-67H,4,9H2/t22-,23+,30+,41-,43-,44-,45+/m1/s1
InChIKey VFRPPNXPLILJQH-OSFHRZBBSA-N
Literature Reference Author J.ZHEXIONG,L.XIN
Literature Reference Citation J.CHEM.PHARM.RES.,6,6,1770(2014)
Molecular Weight 1056.809 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWBT13675