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ANCISTROTANZANINE_C
SpectraBase Compound ID BgYDUHruxAu
InChI InChI=1S/C25H29NO4/c1-13-10-16-8-7-9-19(29-5)22(16)24(28)20(13)23-18(27)12-17-11-14(2)26(4)15(3)21(17)25(23)30-6/h7-10,12,14-15,27-28H,11H2,1-6H3/t14-,15+/m0/s1
InChIKey UKOYLRKCEGOLOJ-LSDHHAIUSA-N
Mol Weight 407.51 g/mol
Molecular Formula C25H29NO4
Exact Mass 407.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CLva7NnJ5o5
Name Ancistrotanzanine C
Appearance Yellow oil
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Formula C25H29NO4
InChI InChI=1S/C25H29NO4/c1-13-10-16-8-7-9-19(29-5)22(16)24(28)20(13)23-18(27)12-17-11-14(2)26(4)15(3)21(17)25(23)30-6/h7-10,12,14-15,27-28H,11H2,1-6H3/t14-,15+/m0/s1
InChIKey UKOYLRKCEGOLOJ-LSDHHAIUSA-N
Instrument Name JEOL JMS-HX/HX 110A
Ionization Type EI
Literature Reference DOI 10.1021/np0340549
Molecular Weight 407.510 g/mol
Optical Rotation [a]D25 = -75.5 (c = 0.01, CHCl3)
Reported Formula C25H29NO4
SMILES Oc1c2c(cc(c1-c1c(c3c(cc1O)C[C@@](N([C@@]3(C)[H])C)(C)[H])OC)C)cccc2OC
SPLASH splash10-0a4l-0007900000-bd430680780b51cd1d46
Source of Spectrum G4-67-747-6
Wiley ID 1884019