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tert-Butyl (3-O-Benzyl-5,6-dideoxy-6-dimethoxyphosphoryl-1,2-O-isopropylidene-D-arabino-heptofuranos)uronate
SpectraBase Compound ID J2OdTFKH96C
InChI InChI=1S/C23H35O9P/c1-22(2,3)31-20(24)17(33(25,26-6)27-7)13-16-18(28-14-15-11-9-8-10-12-15)19-21(29-16)32-23(4,5)30-19/h8-12,16-19,21H,13-14H2,1-7H3/t16-,17?,18-,19+,21+/m1/s1
InChIKey PJDPGFAAWPQKOP-UBNGDBJXSA-N
Mol Weight 486.5 g/mol
Molecular Formula C23H35O9P
Exact Mass 486.20187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9emXXYYaBJ3
Name tert-Butyl (3-O-Benzyl-5,6-dideoxy-6-dimethoxyphosphoryl-1,2-O-isopropylidene-D-arabino-heptofuranos)uronate
Alternate Name(s) tert-butyl 3-O-benzyl-5,6-dideoxy-6-(dimethoxyphosphoryl)-1,2-O-(1-methylethylidene)-.beta.-D-arabino-heptofuranuronate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35O9P
InChI InChI=1S/C23H35O9P/c1-22(2,3)31-20(24)17(33(25,26-6)27-7)13-16-18(28-14-15-11-9-8-10-12-15)19-21(29-16)32-23(4,5)30-19/h8-12,16-19,21H,13-14H2,1-7H3/t16-,17?,18-,19+,21+/m1/s1
InChIKey PJDPGFAAWPQKOP-UBNGDBJXSA-N
Molecular Weight 486.498 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)(O[C@@]([C@]1(OCc1ccccc1)[H])(CC(P(=O)(OC)OC)C(OC(C)(C)C)=O)[H])[H])[H]
SPLASH splash10-004i-0000900000-6b7ccb5bdef0e7bc4231
Source of Spectrum C-115-5263-15
Wiley ID 1396405