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(2S,7R,11R,15S,19S,22S,26S,30R,34R)-2-Benzyloxymethyl-7,11,15,19,22,28,30,34-octamethyl-1,4-dioxacyclohexatriacont-20-ene
SpectraBase Compound ID EQ5rQ4mDlog
InChI InChI=1S/C50H90O3/c1-41-21-15-22-42(2)24-17-26-45(5)33-35-51-39-50(40-52-38-49-29-13-10-14-30-49)53-36-34-46(6)27-18-28-48(8)37-47(7)20-12-9-11-19-43(3)31-32-44(4)25-16-23-41/h10,13-14,29-32,41-48,50H,9,11-12,15-28,33-40H2,1-8H3/b32-31-/t41-,42+,43+,44-,45+,46+,47?,48+,50-/m0/s1
InChIKey WQVHWIZQOPKGBC-GAOSPCJISA-N
Mol Weight 739.3 g/mol
Molecular Formula C50H90O3
Exact Mass 738.688997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHPy0lRotzW
Name (2S,7R,11R,15S,19S,22S,26S,30R,34R)-2-Benzyloxymethyl-7,11,15,19,22,28,30,34-octamethyl-1,4-dioxacyclohexatriacont-20-ene
Alternate Name(s) (2S,7R,11R,15S,19S,22S,30R,34R)-2-[(benzyloxy)methyl]-7,11,15,19,22,28,30,34-octamethyl-1,4-dioxacyclohexatriacont-20-ene benzyl[(2S,7R,11R,15S,19S,22S,30R,34R)-7,11,15,19,22,28,30,34-octamethyl-1,4-dioxacyclohexatriacont-20-en-2-yl]methyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H90O3
InChI InChI=1S/C50H90O3/c1-41-21-15-22-42(2)24-17-26-45(5)33-35-51-39-50(40-52-38-49-29-13-10-14-30-49)53-36-34-46(6)27-18-28-48(8)37-47(7)20-12-9-11-19-43(3)31-32-44(4)25-16-23-41/h10,13-14,29-32,41-48,50H,9,11-12,15-28,33-40H2,1-8H3/b32-31-/t41-,42+,43+,44-,45+,46+,47?,48+,50-/m0/s1
InChIKey WQVHWIZQOPKGBC-GAOSPCJISA-N
Molecular Weight 739.267 g/mol
SMILES [C@@]1(\C=C/[C@](CCC[C@](CCC[C@](CCC[C@](CCOC[C@](OCC[C@@](CCC[C@](CC(CCCCC1)C)(C)[H])(C)[H])(COCc1ccccc1)[H])(C)[H])(C)[H])(C)[H])(C)[H])(C)[H]
SPLASH splash10-0002-0000019000-33c8a0a96018737765fe
Source of Spectrum J-63-4745-6
Wiley ID 1416079