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D-arabino-D-gluco-L-ido-Pentadecitol, 2,4,7,8,10,14,15-heptadeoxy-9,13-bis-O-[(4-methoxyphenyl)methyl]-2,4,8,10-tetramethyl-6,12-di-C-methyl-11,12-O-(1-methylethylidene)-
SpectraBase Compound ID 9xUSaigu9VX
InChI InChI=1S/C40H64O10/c1-12-33(47-23-29-13-17-31(45-10)18-14-29)40(9)37(49-38(6,7)50-40)28(5)35(48-24-30-15-19-32(46-11)20-16-30)25(2)21-39(8,44)36(43)27(4)34(42)26(3)22-41/h13-20,25-28,33-37,41-44H,12,21-24H2,1-11H3/t25-,26+,27+,28+,33?,34-,35+,36-,37-,39-,40-/m1/s1
InChIKey DYASHARNGJWQRP-XEBWGPKDSA-N
Mol Weight 704.9 g/mol
Molecular Formula C40H64O10
Exact Mass 704.449948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWMEEeXWLa0
Name D-arabino-D-gluco-L-ido-Pentadecitol, 2,4,7,8,10,14,15-heptadeoxy-9,13-bis-O-[(4-methoxyphenyl)methyl]-2,4,8,10-tetramethyl-6,12-di-C-methyl-11,12-O-(1-methylethylidene)-
CAS Registry Number 96918-69-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H64O10
InChI InChI=1S/C40H64O10/c1-12-33(47-23-29-13-17-31(45-10)18-14-29)40(9)37(49-38(6,7)50-40)28(5)35(48-24-30-15-19-32(46-11)20-16-30)25(2)21-39(8,44)36(43)27(4)34(42)26(3)22-41/h13-20,25-28,33-37,41-44H,12,21-24H2,1-11H3/t25-,26+,27+,28+,33?,34-,35+,36-,37-,39-,40-/m1/s1
InChIKey DYASHARNGJWQRP-XEBWGPKDSA-N
Molecular Weight 704.942 g/mol
SMILES OC[C@@]([C@]([C@@]([C@]([C@@](C[C@]([C@@]([C@@]([C@@]1([C@](OC(C)(C)O1)(C(OCc1ccc(cc1)OC)CC)C)[H])(C)[H])(OCc1ccc(cc1)OC)[H])(C)[H])(O)C)(O)[H])(C)[H])(O)[H])(C)[H]
SPLASH splash10-00di-0900000000-15ddeb4f2708ac81e76e
Source of Spectrum KC-1985-31-14
Synonyms (2S,3R,4S,5R,6R,8R,9S,10S,11R,12R,13E)-1,3,5,6-tetrahydroxy-11,12-isopropylidenedioxy-9,13-bis(4-methoxybenzyl-oxy)-2,4,6,8,10,12-hexamethylpentadecane 2,4,7,8,10,14,15-heptadeoxy-9,13-bis-O-(4-methoxybenzyl)-2,4,8,10-tetramethyl-6,12-di-C-methyl-11,12-O-(1-methylethylidene)-D-threo-D-gluco-L-ido-pentadecitol
Wiley ID 1415159