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VATICANOL-A

View entire compound with spectra: 1 NMR

VATICANOL-A
SpectraBase Compound ID CanPNyouRlH
InChI InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42+/m0/s1
InChIKey MBGBQHRAJPLAPN-LINYPDCISA-N
Mol Weight 680.7 g/mol
Molecular Formula C42H32O9
Exact Mass 680.204633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ezta3YRP9sq
Name VATICANOL-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H32O9
InChI InChI=1S/C42H32O9/c43-23-7-1-19(2-8-23)33-35(22-13-26(46)15-27(47)14-22)38-31(50)18-32-39-37(42(51-32)21-5-11-25(45)12-6-21)29-16-28(48)17-30(49)36(29)34(40(33)41(38)39)20-3-9-24(44)10-4-20/h1-18,33-35,37,40,42-50H/t33-,34-,35-,37-,40+,42+/m0/s1
InChIKey MBGBQHRAJPLAPN-LINYPDCISA-N
Literature Reference Author T.TANAKA,T.ITO,K.NAKAYA,M.IINUMA,S.RISWAN
Literature Reference Citation PHYTOCHEM.,54,63(2000)
Literature Reference DOI 10.1016/S0031-9422(00)00026-1
Molecular Weight 680.711 g/mol
Solvent ACETONE-D6
Source File Reference UWLU1216