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VERMICULATIN
SpectraBase Compound ID EnZZ4q4E6nh
InChI InChI=1S/C47H40O32/c48-9-24-31(61)35(65)39-46(73-24)78-42(67)12-3-18(52)27(57)22(5-12)72-37-15(8-21(55)30(60)34(37)64)45(70)77-40-38(75-41(66)11-1-16(50)26(56)17(51)2-11)32(62)25(10-49)74-47(40)79-43(68)13-4-19(53)28(58)23(6-13)71-36-14(44(69)76-39)7-20(54)29(59)33(36)63/h1-8,24-25,31-32,35,38-40,46-65H,9-10H2/t24-,25-,31-,32-,35+,38+,39-,40-,46+,47+/m1/s1
InChIKey CIVPUHCCIYDGIF-HKOIBHTASA-N
Mol Weight 1116.8 g/mol
Molecular Formula C47H40O32
Exact Mass 1116.150269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 56HNXXVJz5x
Name VERMICULATIN
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H40O32
InChI InChI=1S/C47H40O32/c48-9-24-31(61)35(65)39-46(73-24)78-42(67)12-3-18(52)27(57)22(5-12)72-37-15(8-21(55)30(60)34(37)64)45(70)77-40-38(75-41(66)11-1-16(50)26(56)17(51)2-11)32(62)25(10-49)74-47(40)79-43(68)13-4-19(53)28(58)23(6-13)71-36-14(44(69)76-39)7-20(54)29(59)33(36)63/h1-8,24-25,31-32,35,38-40,46-65H,9-10H2/t24-,25-,31-,32-,35+,38+,39-,40-,46+,47+/m1/s1
InChIKey CIVPUHCCIYDGIF-HKOIBHTASA-N
Literature Reference Author M.A.NAWWAR,N.A.AYOUB,M.A.EL-RAI,F.BASSYOUNY,E.S.MOSTAFA,A.M. AL-ABD,M.HARMS,K.WEN
Literature Reference Citation FITOTERAPIA,83,1256(2012)
Literature Reference DOI 10.1016/j.fitote.2012.06.007
Molecular Weight 1116.815 g/mol
Sample ID 72040
Solvent DMSO-D6