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CIS-MIYABENOL-A

View entire compound with spectra: 1 NMR

CIS-MIYABENOL-A
SpectraBase Compound ID 5kRyD9w43Wu
InChI InChI=1S/C56H42O12/c57-34-11-2-28(3-12-34)1-4-32-19-40(63)25-45-48(32)52(55(66-45)30-7-15-36(59)16-8-30)44-24-42(65)27-47-51(44)53(56(68-47)31-9-17-37(60)18-10-31)43-23-41(64)26-46-50(43)49(33-20-38(61)22-39(62)21-33)54(67-46)29-5-13-35(58)14-6-29/h1-27,49,52-65H/b4-1-/t49-,52+,53+,54+,55-,56-/m0/s1
InChIKey UCGUBQISONYIPQ-NTWNQWMPSA-N
Mol Weight 906.9 g/mol
Molecular Formula C56H42O12
Exact Mass 906.267627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6LvSKS4RQf
Name CIS-MIYABENOL-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H42O12
InChI InChI=1S/C56H42O12/c57-34-11-2-28(3-12-34)1-4-32-19-40(63)25-45-48(32)52(55(66-45)30-7-15-36(59)16-8-30)44-24-42(65)27-47-51(44)53(56(68-47)31-9-17-37(60)18-10-31)43-23-41(64)26-46-50(43)49(33-20-38(61)22-39(62)21-33)54(67-46)29-5-13-35(58)14-6-29/h1-27,49,52-65H/b4-1-/t49-,52+,53+,54+,55-,56-/m0/s1
InChIKey UCGUBQISONYIPQ-NTWNQWMPSA-N
Literature Reference Author Y.MENG,P.C.BOURNE,P.WHITING,V.SIK,L.DINAN
Literature Reference Citation PHYTOCHEM.,57,393(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00061-9
Molecular Weight 906.942 g/mol
Solvent CD3OD
Source File Reference UWVN2216