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1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,5,8,8a-hexahydro-3-oxo-8a-[(phenylmethoxy)methyl]-5-(phenylthi o)-, methyl ester, (4.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-(.+-.)-

Compound with spectra: 1 MS (GC)

1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,5,8,8a-hexahydro-3-oxo-8a-[(phenylmethoxy)methyl]-5-(phenylthi o)-, methyl ester, (4.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID H3tqpzJTrt2
InChI InChI=1S/C25H26O5S/c1-24(31-19-12-6-3-7-13-19)25(17-29-16-18-10-4-2-5-11-18)15-9-8-14-20(25)21(22(26)27)23(28)30-24/h2-13,20-21H,14-17H2,1H3,(H,26,27)/t20?,21-,24?,25-/m0/s1
InChIKey PPQSXOMRQGLHAB-OTUQQEHESA-N
Mol Weight 438.54 g/mol
Molecular Formula C25H26O5S
Exact Mass 438.150095 g/mol
Enantiomer InChIKey PPQSXOMRQGLHAB-UOFHWFKZSA-N

View Spectrum of 1H-2-Benzopyran-4-carboxylic acid, 3,4,4a,5,8,8a-hexahydro-3-oxo-8a-[(phenylmethoxy)methyl]-5-(phenylthi o)-, methyl ester, (4.alpha.,4a.alpha.,5.alpha.,8a.alpha.)-(.+-.)-

MS (GC) Spectrum
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Source of Spectrum F-35-2394-0
  • (4S,8aR)-8a-[(benzyloxy)methyl]-1-methyl-3-oxo-1-(phenylsulfanyl)-3,4,4a,5,8,8a-hexahydro-1H-2-benzopyran-4-carboxylic acid
  • Methyl 8a.alpha.-benzyloxymethyl-5.alpha.-phenylthio-4a.alpha.,5,8,8a-tetrahydro-3-isochromanone-4.alpha.-carboxylic acid
#1;QM-6;METHYL-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)-[O-[4-O-(2R,3R)-NILOYL]-BETA-D-QUIN
#3;QM-3;METHYL-(3S,11S)-DIHYDROXY-TETRADECANOATE-11-O-BETA-D-FUCOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1->3)
#2;QM-2;METHYL-(3S,11S)-DIHYDROXY-TETRADECANOATE-11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-(4-O-TIGLOYL)-BETA-D-QUINOVOPYRANOSYL-(1->2)-O-BETA-D-GLUCOPYRANOSYL-(1-
(2S,3R,4R,5R,6R,7S,8R)-3-(BENZYLOXYMETHOXY)-7,8-DI-(TERT.-BUTYLDIMETHYLSILOXY)-4,5-(CYCLOHEXYLIDENEDIOXY)-2,4,6-TRIMETHYLNONANOIC-ACID
5'-O-DIMETHOXYTRITYL-2'-O-TETRAHYDROPYRANYL-N-BENZOYLCYTIDINE-3'-H-PHOSPHONATE, ANION
5'-o-Dimethoxytrityl-2'-o-tetrahydropyranyl-N4-benzoylcytidine-3'-phosphite
2H,5H-Pyrano[3,2-c][1]benzopyran-2,5-dione, 4-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-3,4-dihydro-
(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YL-4-(2-AMINOETHYLAMINO)-4-OXO-BUTANOATE
2H,5H-Pyrano[3,2-c][1]benzopyran-2,5-dione, 4-[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]-3,4-dihydro-
PM-5;METHYL_3-S,11-S-DIHYDROXYTETRADECANOATE_11-O-ALPHA-L-RHAMNOPYRANOSYL-(1->3)-O-[4-O-2-R-METHYL-3-R-O-(2-R-METHYL-3-R-HYDROXYBUTYRYL)-BUTYRYL]
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