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D-arabino-D-gluco-L-ido-Pentadecitol, 2,4,7,8,10,14,15-heptadeoxy-5,6-O-[1-(4-methoxyphenyl)ethylidene]-2,4,8,10-tetramethyl-6,12-di-C-methyl-1,3:11,12-bis-O-(1-methylethylidene)-, diacetate
SpectraBase Compound ID 4JowWUYMC3t
InChI InChI=1S/C40H64O11/c1-16-31(45-27(6)41)39(13)35(48-37(10,11)50-39)25(4)32(46-28(7)42)23(2)21-38(12)34(26(5)33-24(3)22-44-36(8,9)47-33)49-40(14,51-38)29-17-19-30(43-15)20-18-29/h17-20,23-26,31-35H,16,21-22H2,1-15H3/t23?,24-,25-,26-,31-,32-,33?,34-,35-,38-,39-,40?/m0/s1
InChIKey LQVZLQBVNRQMFB-HRKHPJEQSA-N
Mol Weight 720.9 g/mol
Molecular Formula C40H64O11
Exact Mass 720.444863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPrAm0NdodY
Name D-arabino-D-gluco-L-ido-Pentadecitol, 2,4,7,8,10,14,15-heptadeoxy-5,6-O-[1-(4-methoxyphenyl)ethylidene]-2,4,8,10-tetramethyl-6,12-di-C-methyl-1,3:11,12-bis-O-(1-methylethylidene)-, diacetate
CAS Registry Number 96918-65-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H64O11
InChI InChI=1S/C40H64O11/c1-16-31(45-27(6)41)39(13)35(48-37(10,11)50-39)25(4)32(46-28(7)42)23(2)21-38(12)34(26(5)33-24(3)22-44-36(8,9)47-33)49-40(14,51-38)29-17-19-30(43-15)20-18-29/h17-20,23-26,31-35H,16,21-22H2,1-15H3/t23?,24-,25-,26-,31-,32-,33?,34-,35-,38-,39-,40?/m0/s1
InChIKey LQVZLQBVNRQMFB-HRKHPJEQSA-N
Molecular Weight 720.941 g/mol
SMILES [C@]1([C@]([C@]([C@](C(C[C@]2([C@@](OC(O2)(c2ccc(cc2)OC)C)([C@](C2OC(C)(C)OC[C@@]2(C)[H])(C)[H])[H])C)C)(OC(=O)C)[H])(C)[H])(OC(O1)(C)C)[H])([C@@](OC(=O)C)(CC)[H])C
SPLASH splash10-0550-0900000400-24a3f2ef82ffb260022f
Source of Spectrum KC-1985-30-0
Synonyms (2S,3R,4S,5R,6R,8R,9S,10S,11R,12R,13R)-9,13-acetoxy-1,3:11,12-bis(isopropylidenedioxy)-5,6-[1-(4-methoxylphenyl)-ethylidenedioxy)]-2,4,6,8,10,12-hexamethylpentadecane (3S,4S)-4-[(4S,5S)-5-[(1S)-1-(acetyloxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-1-[(4S,5S)-2-(4-methoxyphenyl)-2,4-dimethyl-5-[(1S)-1-[(5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxolan-4-yl]-2-methylpentan-3-yl acetate
Wiley ID 210501