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Allyl 2-( O-benzyl)-3,4-bis( O-cyclohexanecarbonyl)-.beta.-D-xylopyranoside
SpectraBase Compound ID CVO4kMClPMn
InChI InChI=1S/C29H40O7/c1-2-18-32-29-26(33-19-21-12-6-3-7-13-21)25(36-28(31)23-16-10-5-11-17-23)24(20-34-29)35-27(30)22-14-8-4-9-15-22/h2-3,6-7,12-13,22-26,29H,1,4-5,8-11,14-20H2/t24-,25+,26-,29-/m1/s1
InChIKey JATNCJYQMABNTC-GFQWBHFJSA-N
Mol Weight 500.6 g/mol
Molecular Formula C29H40O7
Exact Mass 500.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KyVOAJQyyk
Name Allyl 2-( O-benzyl)-3,4-bis( O-cyclohexanecarbonyl)-.beta.-D-xylopyranoside
Alternate Name(s) Allyl 2-O-benzyl-3,4-bis-O-(cyclohexylcarbonyl)-.beta.-D-xylopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O7
InChI InChI=1S/C29H40O7/c1-2-18-32-29-26(33-19-21-12-6-3-7-13-21)25(36-28(31)23-16-10-5-11-17-23)24(20-34-29)35-27(30)22-14-8-4-9-15-22/h2-3,6-7,12-13,22-26,29H,1,4-5,8-11,14-20H2/t24-,25+,26-,29-/m1/s1
InChIKey JATNCJYQMABNTC-GFQWBHFJSA-N
Molecular Weight 500.632 g/mol
SMILES [C@@]1([C@]([C@](OCC=C)(OC[C@]1(OC(=O)C1CCCCC1)[H])[H])(OCc1ccccc1)[H])(OC(=O)C1CCCCC1)[H]
SPLASH splash10-0006-9700200000-97774346f74ccffa030e
Source of Spectrum K1-2000-1002-1
Wiley ID 749916