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D-erythro-L-galacto-Nonitol, 2,4,8,9-tetradeoxy-3,7-bis-O-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-C-methyl-5,6-O-(1-methylethylidene)-
SpectraBase Compound ID 1zFW3CMlgwI
InChI InChI=1S/C31H46O7/c1-9-27(36-20-24-12-16-26(34-8)17-13-24)31(6)29(37-30(4,5)38-31)22(3)28(32)21(2)18-35-19-23-10-14-25(33-7)15-11-23/h10-17,21-22,27-29,32H,9,18-20H2,1-8H3/t21-,22+,27-,28+,29-,31-/m1/s1
InChIKey VQFCNILXJWGEDY-ZELZFLPSSA-N
Mol Weight 530.7 g/mol
Molecular Formula C31H46O7
Exact Mass 530.324354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bswu1eKqsJA
Name D-erythro-L-galacto-Nonitol, 2,4,8,9-tetradeoxy-3,7-bis-O-[(4-methoxyphenyl)methyl]-2,4-dimethyl-6-C-methyl-5,6-O-(1-methylethylidene)-
CAS Registry Number 98049-36-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O7
InChI InChI=1S/C31H46O7/c1-9-27(36-20-24-12-16-26(34-8)17-13-24)31(6)29(37-30(4,5)38-31)22(3)28(32)21(2)18-35-19-23-10-14-25(33-7)15-11-23/h10-17,21-22,27-29,32H,9,18-20H2,1-8H3/t21-,22+,27-,28+,29-,31-/m1/s1
InChIKey VQFCNILXJWGEDY-ZELZFLPSSA-N
Molecular Weight 530.702 g/mol
SMILES O[C@]([C@@]([C@@]1([C@](OC(C)(C)O1)([C@](OCc1ccc(cc1)OC)(CC)[H])C)[H])(C)[H])([C@@](COCc1ccc(cc1)OC)(C)[H])[H]
SPLASH splash10-00di-0900000000-efce820ea86c8ad4537a
Source of Spectrum KC-1985-16-55
Synonyms (2R,3S,4S,5R,6R,7R)-1-hydroxy-5,6-isopropylidenedioxy-3,7-bis-(4-methoxybenzyloxy)-2,4,6-trimethylnonae 2,4,8,9-tetradeoxy-1,7-bis-O-(4-methoxybenzyl)-2,4-dimethyl-6-C-methyl-5,6-O-(1-methylethylidene)-D-erythro-L-galacto-nonitol 2,4,8,9-Tetradeoxy-5,6-O-isopropylidene-3,7-bis-O-(4-methoxybenzyl)-2,4,6-tri-c-methyl-D-erythro-lgalacto-nonitol
Wiley ID 1403363