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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-11,12-O-(1-methylethylidene)-
SpectraBase Compound ID H4enN3NElFU
InChI InChI=1S/C33H56O9/c1-12-31(8,37)29-28(40-30(6,7)41-29)21(4)26(35)19(2)17-25-32(9,22(5)27(36)20(3)18-34)42-33(10,39-25)23-13-15-24(38-11)16-14-23/h13-16,19-22,25-29,34-37H,12,17-18H2,1-11H3/t19-,20+,21+,22+,25-,26+,27-,28-,29+,31+,32-,33?/m1/s1
InChIKey UAVNZBOBTJJEIP-JBKYFODUSA-N
Mol Weight 596.8 g/mol
Molecular Formula C33H56O9
Exact Mass 596.392433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkMBURnhChS
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-11,12-O-(1-methylethylidene)-
Alternate Name(s) (2S,3R,4S)-4-[(4R,5R)-5-[(2R,3S,4S)-3-hydroxy-4-[(4R,5S)-5-[(2S)-2-hydroxybutan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentyl]-2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol (2S,3R,4S,5R,6R,8R,9S,10S,11R,12R,13R)-1,3,9,13-tetrahydroxy-11,12-isopropylidenedioxy-5,6-[1-(4-methoxyphenyl)-ethylidenedioxy]-2,4,5,8,10,12-hexanmethylpentadecane
CAS Registry Number 96918-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56O9
InChI InChI=1S/C33H56O9/c1-12-31(8,37)29-28(40-30(6,7)41-29)21(4)26(35)19(2)17-25-32(9,22(5)27(36)20(3)18-34)42-33(10,39-25)23-13-15-24(38-11)16-14-23/h13-16,19-22,25-29,34-37H,12,17-18H2,1-11H3/t19-,20+,21+,22+,25-,26+,27-,28-,29+,31+,32-,33?/m1/s1
InChIKey UAVNZBOBTJJEIP-JBKYFODUSA-N
Molecular Weight 596.802 g/mol
SMILES O[C@]([C@@]1([C@@]([C@]([C@]([C@@](C[C@]2(OC(O[C@@]2([C@]([C@@]([C@](CO)(C)[H])(O)[H])(C)[H])C)(c2ccc(cc2)OC)C)[H])(C)[H])(O)[H])(C)[H])(OC(O1)(C)C)[H])[H])(CC)C
SPLASH splash10-0f79-0900010000-000bfc6a3ce369559739
Source of Spectrum KC-1985-30-12
Wiley ID 1409826