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JAPONICIN_B
SpectraBase Compound ID 6d1d7RwmWMk
InChI InChI=1S/C52H64N8O11/c1-3-31(2)44-49(68)53-36(27-34-20-22-35(61)23-21-34)45(64)54-39(30-43(62)63)52(71)59-25-11-18-41(59)47(66)55-37(28-32-13-6-4-7-14-32)50(69)58-24-10-17-40(58)46(65)56-38(29-33-15-8-5-9-16-33)51(70)60-26-12-19-42(60)48(67)57-44/h4-9,13-16,20-23,31,36-42,44,61H,3,10-12,17-19,24-30H2,1-2H3,(H,53,68)(H,54,64)(H,55,66)(H,56,65)(H,57,67)(H,62,63)
InChIKey FIXWXXJYESHAJF-UHFFFAOYSA-N
Mol Weight 977.1 g/mol
Molecular Formula C52H64N8O11
Exact Mass 976.469455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I2dorAI2B0c
Name JAPONICIN_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H64N8O11
InChI InChI=1S/C52H64N8O11/c1-3-31(2)44-49(68)53-36(27-34-20-22-35(61)23-21-34)45(64)54-39(30-43(62)63)52(71)59-25-11-18-41(59)47(66)55-37(28-32-13-6-4-7-14-32)50(69)58-24-10-17-40(58)46(65)56-38(29-33-15-8-5-9-16-33)51(70)60-26-12-19-42(60)48(67)57-44/h4-9,13-16,20-23,31,36-42,44,61H,3,10-12,17-19,24-30H2,1-2H3,(H,53,68)(H,54,64)(H,55,66)(H,56,65)(H,57,67)(H,62,63)
InChIKey FIXWXXJYESHAJF-UHFFFAOYSA-N
Literature Reference Author A.Q.JIA,N.H.TAN,J.ZHOU
Literature Reference Citation FITOTERAPIA,80,192(2009)
Literature Reference DOI 10.1016/j.fitote.2009.01.004
Molecular Weight 977.127 g/mol
Solvent C5D5N
Source File Reference UWMB1031