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PROCYANIDIN-B-2-DECAACETATE;MAJOR-CONFORMER

View entire compound with spectra: 2 NMR

PROCYANIDIN-B-2-DECAACETATE;MAJOR-CONFORMER
SpectraBase Compound ID J7GJrx9s817
InChI InChI=1S/C50H46O22/c1-21(51)61-33-17-40(67-27(7)57)44-41(18-33)71-48(32-12-14-36(63-23(3)53)39(16-32)66-26(6)56)50(70-30(10)60)46(44)45-42(68-28(8)58)20-37(64-24(4)54)34-19-43(69-29(9)59)47(72-49(34)45)31-11-13-35(62-22(2)52)38(15-31)65-25(5)55/h11-18,20,43,46-48,50H,19H2,1-10H3/t43-,46+,47-,48+,50+/m0/s1
InChIKey XVPHXHFVALQSOB-IIQTYSNLSA-N
Mol Weight 998.9 g/mol
Molecular Formula C50H46O22
Exact Mass 998.248073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 460baux2ZWL
Name PROCYANIDIN-B-2-DECAACETATE;MAJOR-CONFORMER
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H46O22
InChI InChI=1S/C50H46O22/c1-21(51)61-33-17-40(67-27(7)57)44-41(18-33)71-48(32-12-14-36(63-23(3)53)39(16-32)66-26(6)56)50(70-30(10)60)46(44)45-42(68-28(8)58)20-37(64-24(4)54)34-19-43(69-29(9)59)47(72-49(34)45)31-11-13-35(62-22(2)52)38(15-31)65-25(5)55/h11-18,20,43,46-48,50H,19H2,1-10H3/t43-,46+,47-,48+,50+/m0/s1
InChIKey XVPHXHFVALQSOB-IIQTYSNLSA-N
Literature Reference Author M.L.KHAN,E.HASLAM,M.P.WILLIAMSON
Literature Reference Citation MAGN.RES.CHEM.,35,854(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199712)35:12<854::aid-omr184>3.3.co;2-e
Molecular Weight 998.902 g/mol
Solvent CDCl3
Source File Reference UWCP700