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(1L)-1, 2, 4/3, 5)-1,2-Anhydro-3, 4,5-tri-O-benzyl-1-hydroxymethyl-ydroxymethyl-2-[N-hydroxymethyl-N-methylamino]-3,4,5-cyclopentantriol

View entire compound with spectra: 1 MS (GC)

(1L)-1, 2, 4/3, 5)-1,2-Anhydro-3, 4,5-tri-O-benzyl-1-hydroxymethyl-ydroxymethyl-2-[N-hydroxymethyl-N-methylamino]-3,4,5-cyclopentantriol
SpectraBase Compound ID EDUhK5gvjPX
InChI InChI=1S/C29H33NO4/c1-30-21-31-20-25-26(30)28(33-18-23-13-7-3-8-14-23)29(34-19-24-15-9-4-10-16-24)27(25)32-17-22-11-5-2-6-12-22/h2-16,25-29H,17-21H2,1H3/t25-,26+,27+,28-,29-/m0/s1
InChIKey RVDBBCFPYMGNND-ZKZHHWRMSA-N
Mol Weight 459.6 g/mol
Molecular Formula C29H33NO4
Exact Mass 459.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH5voeEl2OB
Name (1L)-1, 2, 4/3, 5)-1,2-Anhydro-3, 4,5-tri-O-benzyl-1-hydroxymethyl-ydroxymethyl-2-[N-hydroxymethyl-N-methylamino]-3,4,5-cyclopentantriol
Alternate Name(s) (4aR,5R,6S,7S,7aR)-5,6,7-Tris-benzyloxy-hexahydro-cyclopenta[d][1,3]oxazine-1-carboxylic acid phenyl ester
CAS Registry Number 73111-50-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33NO4
InChI InChI=1S/C29H33NO4/c1-30-21-31-20-25-26(30)28(33-18-23-13-7-3-8-14-23)29(34-19-24-15-9-4-10-16-24)27(25)32-17-22-11-5-2-6-12-22/h2-16,25-29H,17-21H2,1H3/t25-,26+,27+,28-,29-/m0/s1
InChIKey RVDBBCFPYMGNND-ZKZHHWRMSA-N
Molecular Weight 459.586 g/mol
SMILES [C@@]12([C@]([C@](OCc3ccccc3)([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])(N(C)COC2)[H])[H]
SPLASH splash10-0006-9010000000-248398121f0e20b5039e
Source of Spectrum H-62-2012-62
Wiley ID 1390279