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(1S,2R,5R,6R,7R,7aR)-6,7-Bis-benzyloxy-5-benzyloxymethyl-1,2-dihydroxy-hexahydro-pyrrolizin-3-one
SpectraBase Compound ID GqNDSTttHXi
InChI InChI=1S/C29H31NO6/c31-25-24-28(36-18-22-14-8-3-9-15-22)27(35-17-21-12-6-2-7-13-21)23(30(24)29(33)26(25)32)19-34-16-20-10-4-1-5-11-20/h1-15,23-28,31-32H,16-19H2/t23-,24-,25+,26-,27-,28-/m1/s1
InChIKey CEWWHJGTNPCPFT-XXDTVXIHSA-N
Mol Weight 489.57 g/mol
Molecular Formula C29H31NO6
Exact Mass 489.215138 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36jKFB9vRll
Name (1S,2R,5R,6R,7R,7aR)-6,7-Bis-benzyloxy-5-benzyloxymethyl-1,2-dihydroxy-hexahydro-pyrrolizin-3-one
Alternate Name(s) 1,2-bis(Benzyloxy)-3-[(benzyloxy)methyl]-6,7-dihydroxy-hexahydropyrrolizin-5-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H31NO6
InChI InChI=1S/C29H31NO6/c31-25-24-28(36-18-22-14-8-3-9-15-22)27(35-17-21-12-6-2-7-13-21)23(30(24)29(33)26(25)32)19-34-16-20-10-4-1-5-11-20/h1-15,23-28,31-32H,16-19H2/t23-,24-,25+,26-,27-,28-/m1/s1
InChIKey CEWWHJGTNPCPFT-XXDTVXIHSA-N
Molecular Weight 489.568 g/mol
SMILES O[C@]1(C(N2[C@]([C@@]1(O)[H])([C@]([C@@]([C@]2(COCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])=O)[H]
SPLASH splash10-006x-6910000000-354040200e043ee1d60d
Source of Spectrum QE-15-1633-10
Wiley ID 1692698