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PAEONIANIN-C
SpectraBase Compound ID LwDtOPQYleX
InChI InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(64(119-67(105)16-3-25(78)46(90)26(79)4-16)65(121-68(106)17-5-27(80)47(91)28(81)6-17)75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)117-72(110)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)73(111)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2/t35-,36+,43-,60-,61+,62-,63+,64-,65+,75-/m0/s1
InChIKey CFGCTVYZBSWLKA-XQXNVBFSSA-N
Mol Weight 1707.2 g/mol
Molecular Formula C75H54O47
Exact Mass 1706.183539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbAj0pIJxL0
Name PAEONIANIN-C
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C75H54O47
InChI InChI=1S/C75H54O47/c76-23-1-15(2-24(77)45(23)89)66(104)114-14-36-61(64(119-67(105)16-3-25(78)46(90)26(79)4-16)65(121-68(106)17-5-27(80)47(91)28(81)6-17)75(115-36)122-69(107)18-7-29(82)48(92)30(83)8-18)117-72(110)22-12-34(87)52(96)56(100)40(22)43-42-44-41(57(101)59(103)58(42)102)39-21(11-33(86)51(95)55(39)99)73(111)120-63(62(43)118-74(44)112)60-35(88)13-113-70(108)19-9-31(84)49(93)53(97)37(19)38-20(71(109)116-60)10-32(85)50(94)54(38)98/h1-12,35-36,43,60-65,75-103H,13-14H2/t35-,36+,43-,60-,61+,62-,63+,64-,65+,75-/m0/s1
InChIKey CFGCTVYZBSWLKA-XQXNVBFSSA-N
Literature Reference Author T.TANAKA,M.FUKUMORI,T.OCHI,I.KOUNO
Literature Reference Citation J.NAT.PROD.,66,759(2003)
Literature Reference DOI 10.1021/np020608g
Molecular Weight 1707.226 g/mol
Solvent ACETONE-D6:D2O
Source File Reference UWSI7834