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Dehydrobruceantinol
SpectraBase Compound ID 7hxz8MsUDB
InChI InChI=1S/C30H36O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,10,17,20-24,32,35-36H,9,11H2,1-7H3/b12-8+/t17-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1
InChIKey MJOFLSVJDZIFKV-UUTDASJCSA-N
Mol Weight 604.6 g/mol
Molecular Formula C30H36O13
Exact Mass 604.215591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1FCXXTGHHcz
Name DEHYDROBRUCEANTINOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36O13
InChI InChI=1S/C30H36O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,10,17,20-24,32,35-36H,9,11H2,1-7H3/b12-8+/t17-,20-,21-,22-,23-,24+,28+,29-,30+/m1/s1
InChIKey MJOFLSVJDZIFKV-UUTDASJCSA-N
Literature Reference Author K.IMAMURA,N.FUKAYIMA,M.NAKAMURA,M.OKANO,K.TAGAHARA,K.H.LEE
Literature Reference Citation J.NAT.PROD.,58,1915(1995)
Literature Reference DOI 10.1021/np50126a019
Molecular Weight 604.608 g/mol
Solvent PYRIDINE-D5
Source File Reference WANG2480