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10-DEMETHYL-CALLYSTATIN-A

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10-DEMETHYL-CALLYSTATIN-A
SpectraBase Compound ID 4Cc4TVkva2T
InChI InChI=1S/C28H42O4/c1-7-21(4)27(30)23(6)28(31)22(5)19-20(3)13-10-9-11-14-24(8-2)17-18-25-15-12-16-26(29)32-25/h10,12-14,16-19,21-23,25,27,30H,7-9,11,15H2,1-6H3/b13-10+,18-17+,20-19+,24-14+/t21-,22+,23-,25+,27+/m0/s1
InChIKey QOOHBJBYWLHFPR-BBEQGTLUSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sq7LhYalTh
Name 10-DEMETHYL-CALLYSTATIN-A
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-7-21(4)27(30)23(6)28(31)22(5)19-20(3)13-10-9-11-14-24(8-2)17-18-25-15-12-16-26(29)32-25/h10,12-14,16-19,21-23,25,27,30H,7-9,11,15H2,1-6H3/b13-10+,18-17+,20-19+,24-14+/t21-,22+,23-,25+,27+/m0/s1
InChIKey QOOHBJBYWLHFPR-BBEQGTLUSA-N
Literature Reference Author N.MURAKAMI,M.SUGIMOTO,T.NAKAJIMA,M.KAWANISHI,Y.TSUTSUI,M.KOB AYASHI
Literature Reference Citation BIOORG.MED.CHEM.,8,2651(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00199-1
Molecular Weight 442.639 g/mol
Solvent CDCl3
Source File Reference UWVN20483