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(3S,4S)-14-[(2S,3R,4R)-3-Benzyloxy-4-hydroxymethyl-1-(toluene-4-sulfonyl)-azetidin-2-yl]-3-methyl-tetradec-1-en-4-ol
SpectraBase Compound ID 6VPKtUI2Df9
InChI InChI=1S/C33H49NO5S/c1-4-27(3)32(36)19-15-10-8-6-5-7-9-14-18-30-33(39-25-28-16-12-11-13-17-28)31(24-35)34(30)40(37,38)29-22-20-26(2)21-23-29/h4,11-13,16-17,20-23,27,30-33,35-36H,1,5-10,14-15,18-19,24-25H2,2-3H3/t27-,30-,31+,32-,33+/m0/s1
InChIKey LTFCWQBMQSKBMK-GLSNPSABSA-N
Mol Weight 571.8 g/mol
Molecular Formula C33H49NO5S
Exact Mass 571.333145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fh6L2ZZiN7N
Name (3S,4S)-14-[(2S,3R,4R)-3-Benzyloxy-4-hydroxymethyl-1-(toluene-4-sulfonyl)-azetidin-2-yl]-3-methyl-tetradec-1-en-4-ol
Alternate Name(s) (2R,3R,4S,11'S,12'S)-2-Hydroxymethyl-3-benzyloxy-4-(11'-hydroxy-12'-methyltetradec-13'-enyl)-N-p-tolylsulfonylazetidine (2R,3R,4S,11'R,12'R)-2-Hydroxymethyl-3-benzyloxy-4-(11'-hydroxy-12'-methyltetradec-13'-enyl)-N-p-tolylsulfonylazetidine (3S,4S)-14-{(2S,3R,4R)-3-(benzyloxy)-4-(hydroxymethyl)-1-[(4-methylphenyl)sulfonyl]azetidinyl}-3-methyl-1-tetradecen-4-ol
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Formula C33H49NO5S
InChI InChI=1S/C33H49NO5S/c1-4-27(3)32(36)19-15-10-8-6-5-7-9-14-18-30-33(39-25-28-16-12-11-13-17-28)31(24-35)34(30)40(37,38)29-22-20-26(2)21-23-29/h4,11-13,16-17,20-23,27,30-33,35-36H,1,5-10,14-15,18-19,24-25H2,2-3H3/t27-,30-,31+,32-,33+/m0/s1
InChIKey LTFCWQBMQSKBMK-GLSNPSABSA-N
Molecular Weight 571.817 g/mol
SMILES OC[C@]1(N([C@@](CCCCCCCCCC[C@@]([C@](C=C)(C)[H])(O)[H])([C@]1(OCc1ccccc1)[H])[H])S(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0006-9101000000-d498480a87b53de12342
Source of Spectrum H1-47-345-19
Wiley ID 816113