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[(6S)-1-Undecen-6-yl] 2-O-acetyl-3,4,6-tri-O-benzyl-.beta.,D-glucopyranoside
SpectraBase Compound ID 92eq7Zr3ZIi
InChI InChI=1S/C40H52O7/c1-4-6-11-25-35(26-12-7-5-2)46-40-39(45-31(3)41)38(44-29-34-23-17-10-18-24-34)37(43-28-33-21-15-9-16-22-33)36(47-40)30-42-27-32-19-13-8-14-20-32/h4,8-10,13-24,35-40H,1,5-7,11-12,25-30H2,2-3H3/t35-,36-,37-,38+,39-,40-/m1/s1
InChIKey LIZKYPJIMUNOMM-DBQINKLKSA-N
Mol Weight 644.8 g/mol
Molecular Formula C40H52O7
Exact Mass 644.371304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8FhsDiv7vF
Name [(6S)-1-Undecen-6-yl] 2-O-acetyl-3,4,6-tri-O-benzyl-.beta.,D-glucopyranoside
Alternate Name(s) (1S)-1-pentyl-5-hexenyl 2-O-acetyl-3,4,6-tri-O-benzyl-.beta.-D-glucopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H52O7
InChI InChI=1S/C40H52O7/c1-4-6-11-25-35(26-12-7-5-2)46-40-39(45-31(3)41)38(44-29-34-23-17-10-18-24-34)37(43-28-33-21-15-9-16-22-33)36(47-40)30-42-27-32-19-13-8-14-20-32/h4,8-10,13-24,35-40H,1,5-7,11-12,25-30H2,2-3H3/t35-,36-,37-,38+,39-,40-/m1/s1
InChIKey LIZKYPJIMUNOMM-DBQINKLKSA-N
Molecular Weight 644.849 g/mol
SMILES [C@]1([C@@](O[C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])(O[C@](CCCC=C)(CCCCC)[H])[H])(OC(=O)C)[H]
SPLASH splash10-0006-9011000000-3379a53ffb578eda2bbb
Source of Spectrum QF-9-313-19
Wiley ID 1558182