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Undecitol, 1,2,6,8,9-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 IbZHG5Q9BBT
InChI InChI=1S/C39H54O8/c1-9-34(44-24-29-15-19-32(42-7)20-16-29)38(6)36(46-37(4,5)47-38)28(3)35(45-25-30-17-21-33(43-8)22-18-30)27(2)23-39(41,26-40)31-13-11-10-12-14-31/h10-22,27-28,34-36,40-41H,9,23-26H2,1-8H3/t27-,28+,34-,35+,36-,38-,39?/m1/s1
InChIKey MZOIBPLUJXDYTL-MSVBEZMHSA-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 AEVpPmQ8Hja
Name Undecitol, 1,2,6,8,9-pentadeoxy-3,7-bis-O-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-C-methyl-4,5-O-(1-methylethylidene)-10-C-phenyl-
Alternate Name(s) (2RS,4R,5S,6S,7R,8R,9R)-1,2-dihydroxy-7,8-isopropylidenedioxy-5,9-bis(4-methoxybenzyloxy)-4,6,8-trimethyl-2-phenylundecane 3,4,6,10,11-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
CAS Registry Number 96918-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H54O8
InChI InChI=1S/C39H54O8/c1-9-34(44-24-29-15-19-32(42-7)20-16-29)38(6)36(46-37(4,5)47-38)28(3)35(45-25-30-17-21-33(43-8)22-18-30)27(2)23-39(41,26-40)31-13-11-10-12-14-31/h10-22,27-28,34-36,40-41H,9,23-26H2,1-8H3/t27-,28+,34-,35+,36-,38-,39?/m1/s1
InChIKey MZOIBPLUJXDYTL-MSVBEZMHSA-N
Molecular Weight 650.853 g/mol
SMILES OC(CO)(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])c1ccccc1
SPLASH splash10-00di-0900000000-43d5c70c45067970771c
Source of Spectrum KC-1985-32-20
Wiley ID 1413136