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D-arabino-D-gluco-L-ido-Pentadecitol, 2,4,7,8,10,14,15-heptadeoxy-2,4,8,10-tetramethyl-6,12-di-C-methyl-1,3:11,12-bis-O-(1-methylethylidene)-, 5,9,13-triacetate
SpectraBase Compound ID FllKZC3NlLq
InChI InChI=1S/C33H58O11/c1-15-25(39-22(6)34)33(14)29(43-31(11,12)44-33)20(4)26(40-23(7)35)18(2)16-32(13,37)28(41-24(8)36)21(5)27-19(3)17-38-30(9,10)42-27/h18-21,25-29,37H,15-17H2,1-14H3
InChIKey LJTYZWCUBDJAFS-UHFFFAOYSA-N
Mol Weight 630.8 g/mol
Molecular Formula C33H58O11
Exact Mass 630.397913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gD0l00uSMj
Name D-arabino-D-gluco-L-ido-Pentadecitol, 2,4,7,8,10,14,15-heptadeoxy-2,4,8,10-tetramethyl-6,12-di-C-methyl-1,3:11,12-bis-O-(1-methylethylidene)-, 5,9,13-triacetate
Alternate Name(s) 7-(acetyloxy)-8-{5-[1-(acetyloxy)propyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl}-4-hydroxy-4,6-dimethyl-2-(2,2,5-trimethyl-1,3-dioxan-4-yl)nonan-3-yl acetate Triacetate of (2S,3R,4R,5R,6R,8R,9S,10S,11R,12R,13R)-5,6,9,13-tetrahydroxy-1,3:11,12-bis(isopropylidenedioxy)-2,4,6,8,10,12-hexamethylpentadecane
CAS Registry Number 96916-75-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H58O11
InChI InChI=1S/C33H58O11/c1-15-25(39-22(6)34)33(14)29(43-31(11,12)44-33)20(4)26(40-23(7)35)18(2)16-32(13,37)28(41-24(8)36)21(5)27-19(3)17-38-30(9,10)42-27/h18-21,25-29,37H,15-17H2,1-14H3
InChIKey LJTYZWCUBDJAFS-UHFFFAOYSA-N
Molecular Weight 630.816 g/mol
SMILES OC(C(C(C1OC(C)(C)OCC1C)C)OC(=O)C)(CC(C(C(C1C(OC(C)(C)O1)(C(OC(=O)C)CC)C)C)OC(=O)C)C)C
SPLASH splash10-0006-9110000000-4560795f96e42039548c
Source of Spectrum KC-1985-32-0
Wiley ID 1412093