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2-Heptanone, 5-[(4-methoxyphenyl)methoxy]-6-[5-[1-[(4-methoxyphenyl)methoxy]propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-4-methyl-, [4R-[4.alpha.(4R*,5S*,6S*),5.beta.(R*)]]-
SpectraBase Compound ID IIUADKMgRZQ
InChI InChI=1S/C33H48O7/c1-10-29(37-20-25-11-15-27(35-8)16-12-25)33(7)31(39-32(5,6)40-33)24(4)30(22(2)19-23(3)34)38-21-26-13-17-28(36-9)18-14-26/h11-18,22,24,29-31H,10,19-21H2,1-9H3/t22-,24+,29-,30+,31-,33-/m1/s1
InChIKey IADNXKQWXBAKLQ-YHNAIYHUSA-N
Mol Weight 556.7 g/mol
Molecular Formula C33H48O7
Exact Mass 556.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcGdPjH4dkx
Name 2-Heptanone, 5-[(4-methoxyphenyl)methoxy]-6-[5-[1-[(4-methoxyphenyl)methoxy]propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-4-methyl-, [4R-[4.alpha.(4R*,5S*,6S*),5.beta.(R*)]]-
CAS Registry Number 96918-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H48O7
InChI InChI=1S/C33H48O7/c1-10-29(37-20-25-11-15-27(35-8)16-12-25)33(7)31(39-32(5,6)40-33)24(4)30(22(2)19-23(3)34)38-21-26-13-17-28(36-9)18-14-26/h11-18,22,24,29-31H,10,19-21H2,1-9H3/t22-,24+,29-,30+,31-,33-/m1/s1
InChIKey IADNXKQWXBAKLQ-YHNAIYHUSA-N
Molecular Weight 556.740 g/mol
SMILES [C@@]1([C@@]([C@]([C@@](OCc2ccc(cc2)OC)([C@@](CC(=O)C)(C)[H])[H])(C)[H])(OC(O1)(C)C)[H])([C@](OCc1ccc(cc1)OC)(CC)[H])C
SPLASH splash10-00di-0900000000-8468debfb4f686cfc357
Source of Spectrum KC-1985-31-15
Synonyms (1R)-4,5-dideoxy-3-O-(4-methoxybenzyl)-1-C-{(1S,2S,3R)-2-[(4-methoxybenzyl)oxy]-1,3-dimethyl-5-oxohexyl}-2-C-methyl-1,2-O-(1-methylethylidene)-D-erythro-pentitol (4R,5S,6S,7R,8R,9R)-7,8-isopropylidenedioxy-5,9-bis(4-methoxybenzyloxy)-4,6,8-trimethylundecan-2-one
Wiley ID 1406417