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Undecitol, 1,2,6,8,11-pentadeoxy-3,7-bis-O-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-C-methyl-4,5-O-(1-methylethylidene)-10-C-phenyl-
SpectraBase Compound ID B4ezS9LDYDh
InChI InChI=1S/C39H54O8/c1-10-33(44-24-28-16-20-31(42-8)21-17-28)39(7)36(46-37(4,5)47-39)27(3)34(45-25-29-18-22-32(43-9)23-19-29)26(2)35(40)38(6,41)30-14-12-11-13-15-30/h11-23,26-27,33-36,40-41H,10,24-25H2,1-9H3/t26-,27-,33+,34-,35?,36+,38?,39+/m0/s1
InChIKey VYGBAHCSYJGHGN-HXNADLJOSA-N
Mol Weight 650.9 g/mol
Molecular Formula C39H54O8
Exact Mass 650.381869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln3dFGjWrwD
Name Undecitol, 1,2,6,8,11-pentadeoxy-3,7-bis-O-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-C-methyl-4,5-O-(1-methylethylidene)-10-C-phenyl-
CAS Registry Number 96918-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H54O8
InChI InChI=1S/C39H54O8/c1-10-33(44-24-28-16-20-31(42-8)21-17-28)39(7)36(46-37(4,5)47-39)27(3)34(45-25-29-18-22-32(43-9)23-19-29)26(2)35(40)38(6,41)30-14-12-11-13-15-30/h11-23,26-27,33-36,40-41H,10,24-25H2,1-9H3/t26-,27-,33+,34-,35?,36+,38?,39+/m0/s1
InChIKey VYGBAHCSYJGHGN-HXNADLJOSA-N
Molecular Weight 650.853 g/mol
SMILES OC(C([C@]([C@@]([C@@]([C@@]1([C@](OC(C)(C)O1)([C@](OCc1ccc(cc1)OC)(CC)[H])C)[H])(C)[H])(OCc1ccc(cc1)OC)[H])(C)[H])O)(c1ccccc1)C
SPLASH splash10-00di-0900000000-29eb32a2dceb3434f2f3
Source of Spectrum KC-1985-32-19
Synonyms (2RS,3RS,4R,5S,6S,7R,8R,9R)-2,3-dihydroxy-7,8-isopropylidenedioxy-5,9-bis(4-methoxybenzyloxy)-4,6,8-trimethyl-2-phenylundecan 1,4,6,10,11-pentadeoxy-5,9-bis-O-(4-methoxybenzyl)-4,6-dimethyl-8-C-methyl-7,8-O-(1-methylethylidene)-2-C-phenyl-D-erythro-L-galacto-undecitol
Wiley ID 1413135