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8-[(1S,5R,6R,7R)-3-Butyl-7-(2-methoxycarbonyl-ethyl)-2,4-dioxa-3-bora-bicyclo[3.2.1]oct-6-yl]-6-oxo-octanoic acid methyl ester
SpectraBase Compound ID 6lxS6F4dn1l
InChI InChI=1S/C22H37BO7/c1-4-5-14-23-29-19-15-20(30-23)18(12-13-22(26)28-3)17(19)11-10-16(24)8-6-7-9-21(25)27-2/h17-20H,4-15H2,1-3H3/t17-,18-,19-,20+/m1/s1
InChIKey FTAJLHBIWSLFIM-WTGUMLROSA-N
Mol Weight 424.3 g/mol
Molecular Formula C22H37BO7
Exact Mass 424.263234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaUpFmvddjL
Name 8-[(1S,5R,6R,7R)-3-Butyl-7-(2-methoxycarbonyl-ethyl)-2,4-dioxa-3-bora-bicyclo[3.2.1]oct-6-yl]-6-oxo-octanoic acid methyl ester
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Formula C22H37BO7
InChI InChI=1S/C22H37BO7/c1-4-5-14-23-29-19-15-20(30-23)18(12-13-22(26)28-3)17(19)11-10-16(24)8-6-7-9-21(25)27-2/h17-20H,4-15H2,1-3H3/t17-,18-,19-,20+/m1/s1
InChIKey FTAJLHBIWSLFIM-WTGUMLROSA-N
Molecular Weight 424.341 g/mol
SMILES [C@@]12(OB(O[C@@]([C@@]([C@]2(CCC(=O)OC)[H])(CCC(=O)CCCCC(=O)OC)[H])(C1)[H])CCCC)[H]
SPLASH splash10-03ec-2900000000-0b976a7ded4a11356b61
Source of Spectrum O-29-360-5
Synonyms 8-[(1S,5R,6R,7R)-3-Butyl-7-(2-Methoxycarbonyl-ethyl)-2,4-dioxa-3-bora-bicyclo[3.2.1]oct-6-yl]-6-oxo-octanoic acid ethyl ester
Wiley ID 1379247