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8-ANGELOYLOXY-3-BETA,4-BETA,10,11-BISEPOXY-1-BETA-(2-METHYLBUTYRYLOXY)-BISABOL-7-(14)-ENE-2-BETA-OL
SpectraBase Compound ID DN3X1MUKu1t
InChI InChI=1S/C25H38O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9,14,16-21,26H,5,10-12H2,1-4,6-8H3/b13-9-/t14?,16-,17?,18?,19-,20+,21+,25-/m0/s1
InChIKey BHFRFWFZCKDMPW-VWTXCDGUSA-N
Mol Weight 450.6 g/mol
Molecular Formula C25H38O7
Exact Mass 450.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Sb8jWINWo9
Name 8-ANGELOYLOXY-3-BETA,4-BETA,10,11-BISEPOXY-1-BETA-(2-METHYLBUTYRYLOXY)-BISABOL-7-(14)-ENE-2-BETA-OL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O7
InChI InChI=1S/C25H38O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9,14,16-21,26H,5,10-12H2,1-4,6-8H3/b13-9-/t14?,16-,17?,18?,19-,20+,21+,25-/m0/s1
InChIKey BHFRFWFZCKDMPW-VWTXCDGUSA-N
Literature Reference Author H.ONUKI,M.YAMAZAKI,A.NAKAMURA,R.HANAI,C.KURODA,X.GONG,Y.SHEN ,H.HIROTA
Literature Reference Citation J.NAT.PROD.,71,520(2008)
Literature Reference DOI 10.1021/np070195p
Molecular Weight 450.573 g/mol
Sample ID 27544
Solvent C6D6