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.beta.-D-Altrofuranuronic acid, 3-deoxy-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-O-(phenylmethyl)-, .epsilon.-lactone, 5-(3-chlorobenzoate)
SpectraBase Compound ID KEJQbwKttVP
InChI InChI=1S/C25H26ClNO8/c1-25(2,3)35-24(30)27-17-18-20(32-21(28)15-10-7-11-16(26)12-15)22(29)34-23(33-18)19(17)31-13-14-8-5-4-6-9-14/h4-12,17-20,23H,13H2,1-3H3,(H,27,30)/t17-,18+,19+,20+,23+/m1/s1
InChIKey LCNNVDAVVFPFJG-FYTJFPQHSA-N
Mol Weight 503.94 g/mol
Molecular Formula C25H26ClNO8
Exact Mass 503.134694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9lqSceA3o3x
Name .beta.-D-Altrofuranuronic acid, 3-deoxy-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-O-(phenylmethyl)-, .epsilon.-lactone, 5-(3-chlorobenzoate)
CAS Registry Number 126229-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26ClNO8
InChI InChI=1S/C25H26ClNO8/c1-25(2,3)35-24(30)27-17-18-20(32-21(28)15-10-7-11-16(26)12-15)22(29)34-23(33-18)19(17)31-13-14-8-5-4-6-9-14/h4-12,17-20,23H,13H2,1-3H3,(H,27,30)/t17-,18+,19+,20+,23+/m1/s1
InChIKey LCNNVDAVVFPFJG-FYTJFPQHSA-N
Molecular Weight 503.935 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1([C@]2([C@@](C(=O)O[C@](O2)([C@]1(OCc1ccccc1)[H])[H])(OC(c1cc(Cl)ccc1)=O)[H])[H])[H]
SPLASH splash10-052o-9800000000-dcf5b21848b5bbbad286
Source of Spectrum H-72-889-0
Synonyms 2,8-Dioxabicyclo[3.2.1]octane, .beta.-D-altrofuranuronic acid deriv. (1S,4S,5S,6R,7S)-7-(benzyloxy)-6-{[(tert-butoxy)carbonyl]amino}-3-oxo-2,8-dioxabicyclo[3.2.1]octan-4-yl 3-chlorobenzoate 2-O-benzyl-3-[(t-butoxy)carbonylamino]-5-O-(3-chlorobenzoyl)-3-deoxy-.beta.-D-altrofuranurono-6,1-lactone
Wiley ID 1399390