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[(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R)-2,3-dimethyl-5-oxo-2-phenylmethoxy-5-(3-sulfanylpropylsulfanyl)pentanoate
SpectraBase Compound ID 6ITGOSdyDem
InChI InChI=1S/C25H35NO5S2/c1-18(15-22(28)33-14-6-13-32)25(2,31-16-19-7-4-3-5-8-19)24(29)30-17-20-9-11-26-12-10-21(27)23(20)26/h3-5,7-9,18,21,23,27,32H,6,10-17H2,1-2H3/t18-,21-,23-,25+/m1/s1
InChIKey UCTQZGMHVZHWKF-VTBBIAPYSA-N
Mol Weight 493.7 g/mol
Molecular Formula C25H35NO5S2
Exact Mass 493.195666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JNjXUUEJiQ
Name [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R)-2,3-dimethyl-5-oxo-2-phenylmethoxy-5-(3-sulfanylpropylsulfanyl)pentanoate
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Formula C25H35NO5S2
InChI InChI=1S/C25H35NO5S2/c1-18(15-22(28)33-14-6-13-32)25(2,31-16-19-7-4-3-5-8-19)24(29)30-17-20-9-11-26-12-10-21(27)23(20)26/h3-5,7-9,18,21,23,27,32H,6,10-17H2,1-2H3/t18-,21-,23-,25+/m1/s1
InChIKey UCTQZGMHVZHWKF-VTBBIAPYSA-N
Molecular Weight 493.677 g/mol
SMILES O[C@@]1(CCN2[C@@]1(C(COC([C@]([C@@](CC(SCCCS)=O)(C)[H])(OCc1ccccc1)C)=O)=CC2)[H])[H]
SPLASH splash10-01p9-0910000000-3425ccbe00565a2a4432
Source of Spectrum J-61-1476-8
Synonyms [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R)-2-benzyloxy-2,3-dimethyl-5-oxo-5-(3-sulfanylpropylsulfanyl)pentanoate [(7R,8R)-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S,3R)-2,3-dimethyl-5-oxidanylidene-2-phenylmethoxy-5-(3-sulfanylpropylsulfanyl)pentanoate (2S,3R)-5-(3-mercaptopropylthio)-2,3-dimethyl-5-oxo-2-phenylmethoxypentanoic acid [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester
Wiley ID 1397714