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8-(Methoxycarbonyl)octyl 2,4-di-O-benzyl-3,6di-O-allyl-.beta.,D-mannopyranoside
SpectraBase Compound ID 9O5Q9mLOsjv
InChI InChI=1S/C36H50O8/c1-4-23-39-28-31-33(42-26-29-18-12-10-13-19-29)34(40-24-5-2)35(43-27-30-20-14-11-15-21-30)36(44-31)41-25-17-9-7-6-8-16-22-32(37)38-3/h4-5,10-15,18-21,31,33-36H,1-2,6-9,16-17,22-28H2,3H3/t31-,33-,34+,35+,36-/m1/s1
InChIKey COMWRHPIFGPUQO-JWRPADCFSA-N
Mol Weight 610.8 g/mol
Molecular Formula C36H50O8
Exact Mass 610.350569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Wj9oGOB3NJ
Name 8-(Methoxycarbonyl)octyl 2,4-di-O-benzyl-3,6di-O-allyl-.beta.,D-mannopyranoside
Alternate Name(s) Methyl 9-[(3,6-di-O-allyl-2,4-di-O-benzyl-.beta.-D-mannopyranosyl)oxy]nonanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H50O8
InChI InChI=1S/C36H50O8/c1-4-23-39-28-31-33(42-26-29-18-12-10-13-19-29)34(40-24-5-2)35(43-27-30-20-14-11-15-21-30)36(44-31)41-25-17-9-7-6-8-16-22-32(37)38-3/h4-5,10-15,18-21,31,33-36H,1-2,6-9,16-17,22-28H2,3H3/t31-,33-,34+,35+,36-/m1/s1
InChIKey COMWRHPIFGPUQO-JWRPADCFSA-N
Molecular Weight 610.788 g/mol
SMILES [C@]1([C@]([C@](OCc2ccccc2)([C@](O[C@]1(OCCCCCCCCC(=O)OC)[H])(COCC=C)[H])[H])(OCC=C)[H])(OCc1ccccc1)[H]
SPLASH splash10-0006-9000000000-94679cd7911e4d0a18d0
Source of Spectrum QE-3-436-17
Wiley ID 842996