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(5R*,6R*,8aS*)-6-[(1R*)-3-Benzyloxy-1-(toluene-p-sulfonyloxy)propyl]-5-[3-phenylsulfonylpropyl)octahydroindolizin-3-one
SpectraBase Compound ID 4nGGLtsKRD6
InChI InChI=1S/C34H41NO7S2/c1-26-14-18-30(19-15-26)44(39,40)42-33(22-23-41-25-27-9-4-2-5-10-27)31-20-16-28-17-21-34(36)35(28)32(31)13-8-24-43(37,38)29-11-6-3-7-12-29/h2-7,9-12,14-15,18-19,28,31-33H,8,13,16-17,20-25H2,1H3/t28-,31+,32+,33+/m0/s1
InChIKey JUFRLINYCWPEOC-YQSRRWBDSA-N
Mol Weight 639.8 g/mol
Molecular Formula C34H41NO7S2
Exact Mass 639.232445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19tc59pQk4A
Name (5R*,6R*,8aS*)-6-[(1R*)-3-Benzyloxy-1-(toluene-p-sulfonyloxy)propyl]-5-[3-phenylsulfonylpropyl)octahydroindolizin-3-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H41NO7S2
InChI InChI=1S/C34H41NO7S2/c1-26-14-18-30(19-15-26)44(39,40)42-33(22-23-41-25-27-9-4-2-5-10-27)31-20-16-28-17-21-34(36)35(28)32(31)13-8-24-43(37,38)29-11-6-3-7-12-29/h2-7,9-12,14-15,18-19,28,31-33H,8,13,16-17,20-25H2,1H3/t28-,31+,32+,33+/m0/s1
InChIKey JUFRLINYCWPEOC-YQSRRWBDSA-N
Molecular Weight 639.822 g/mol
SMILES [C@@](OS(c1ccc(cc1)C)(=O)=O)([C@]1([C@](N2C(CC[C@@]2(CC1)[H])=O)(CCCS(=O)(=O)c1ccccc1)[H])[H])(CCOCc1ccccc1)[H]
SPLASH splash10-00n6-9890700000-125ed5d6b7d40eb59b78
Source of Spectrum KC-1993-643-37
Synonyms 4-Methylbenzenesulfonic acid [(1R)-1-[(5R,6R,8aS)-5-[3-(benzenesulfonyl)propyl]-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-3-phenylmethoxypropyl] ester [(1R)-1-[(5R,6R,8aS)-5-[3-(benzenesulfonyl)propyl]-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-3-phenylmethoxypropyl] 4-methylbenzenesulfonate [(1R)-1-[(5R,6R,8aS)-5-[3-(benzenesulfonyl)propyl]-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-3-benzyloxy-propyl] 4-methylbenzenesulfonate [(1R)-1-[(5R,6R,8aS)-3-oxidanylidene-5-[3-(phenylsulfonyl)propyl]-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-3-phenylmethoxy-propyl] 4-methylbenzenesulfonate
Wiley ID 779083