CRATOXYARBOREQUINONE-B;2-[1''-[11-BENZOYL-14-O-GERANYL-12,16-DIHYDROXYPHENYL]-4''-PRENYL-3''-METHYLBUTYL]-1,8-DIHYDROXY-3-METHOXY-6-METHYL-9,10-ANTHRA

SpectraBase Compound ID	FdRvj8WK0Oq
InChI	InChI=1S/C49H54O9/c1-27(2)14-12-16-29(5)20-21-58-39-26-37(51)44(45(52)32-18-10-9-11-19-32)49(56)42(39)33(22-30(6)17-13-15-28(3)4)41-38(57-8)25-35-43(48(41)55)47(54)40-34(46(35)53)23-31(7)24-36(40)50/h9-11,14-15,18-20,23-26,30,33,50-51,55-56H,12-13,16-17,21-22H2,1-8H3/b29-20+
InChIKey	NJNLSHFEGBVWNG-ZTKZIYFRSA-N Google Search
Mol Weight	787.0 g/mol
Molecular Formula	C49H54O9
Exact Mass	786.376783 g/mol

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SpectraBase Spectrum ID	JWIOBczV15P
Name	CRATOXYARBOREQUINONE-B;2-[1''-[11-BENZOYL-14-O-GERANYL-12,16-DIHYDROXYPHENYL]-4''-PRENYL-3''-METHYLBUTYL]-1,8-DIHYDROXY-3-METHOXY-6-METHYL-9,10-ANTHRA
Compound Number	8
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C49H54O9
InChI	InChI=1S/C49H54O9/c1-27(2)14-12-16-29(5)20-21-58-39-26-37(51)44(45(52)32-18-10-9-11-19-32)49(56)42(39)33(22-30(6)17-13-15-28(3)4)41-38(57-8)25-35-43(48(41)55)47(54)40-34(46(35)53)23-31(7)24-36(40)50/h9-11,14-15,18-20,23-26,30,33,50-51,55-56H,12-13,16-17,21-22H2,1-8H3/b29-20+
InChIKey	NJNLSHFEGBVWNG-ZTKZIYFRSA-N
Literature Reference Author	E.K.SEO,N.C.KIM,M.C.WANI,M.E.WALL,H.A.NAVARRO,J.P.BURGESS,K. KAWANISHI,L.B.S.KARD
Literature Reference Citation	J.NAT.PROD.,65,299(2002)
Literature Reference DOI	10.1021/np010395f
Molecular Weight	786.962 g/mol
Solvent	ACETONE-D6