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GNEYULIN_B

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GNEYULIN_B
SpectraBase Compound ID Jtel47e7lkR
InChI InChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H/t38-,39-,41+,42+/m1/s1
InChIKey HGGUGLARKRGHTC-IASBXJNJSA-N
Mol Weight 726.7 g/mol
Molecular Formula C42H30O12
Exact Mass 726.173726 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Z24rFZ0dt3
Name GNEYULIN_B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H30O12
InChI InChI=1S/C42H30O12/c43-22-3-4-28(31(49)14-22)41-38(20-5-24(45)12-25(46)6-20)30-16-29(32(50)17-36(30)53-41)42-39(21-7-26(47)13-27(48)8-21)40-33(51)9-19(11-37(40)54-42)34-10-18-1-2-23(44)15-35(18)52-34/h1-17,38-39,41-51H/t38-,39-,41+,42+/m1/s1
InChIKey HGGUGLARKRGHTC-IASBXJNJSA-N
Literature Reference Author Y.SHIMOKAWA,Y.AKAO,Y.HIRASAWA,K.AWANG,AH.A.HADI,S.SATO,C.AOY AMA,J.TAKEO,M.SHIRO,
Literature Reference Citation J.NAT.PROD.,73,763(2010)
Literature Reference DOI 10.1021/np9007987
Molecular Weight 726.693 g/mol
Sample ID 35393
Solvent CD3OD