.alpha.-[4'(R)-Hex-5'-en-1'-yn-4'-yl]-3-O-benzoyl-4,5-dimethylacetal-2-deoxy-2-iodo-D-mannopyranoside

SpectraBase Compound ID	3IfYQRiHqnQ
InChI	InChI=1S/C22H25IO6/c1-5-10-15(6-2)26-21-17(23)19(28-20(24)14-11-8-7-9-12-14)18-16(27-21)13-25-22(3,4)29-18/h1,6-9,11-12,15-19,21H,2,10,13H2,3-4H3/t15-,16+,17-,18+,19+,21-/m0/s1
InChIKey	NFKYNUWEEVBDSU-PRRWTPNDSA-N Google Search
Mol Weight	512.34 g/mol
Molecular Formula	C22H25IO6
Exact Mass	512.069584 g/mol

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SpectraBase Spectrum ID	F2gn01FOhjE
Name	.alpha.-[4'(R)-Hex-5'-en-1'-yn-4'-yl]-3-O-benzoyl-4,5-dimethylacetal-2-deoxy-2-iodo-D-mannopyranoside
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25IO6
InChI	InChI=1S/C22H25IO6/c1-5-10-15(6-2)26-21-17(23)19(28-20(24)14-11-8-7-9-12-14)18-16(27-21)13-25-22(3,4)29-18/h1,6-9,11-12,15-19,21H,2,10,13H2,3-4H3/t15-,16+,17-,18+,19+,21-/m0/s1
InChIKey	NFKYNUWEEVBDSU-PRRWTPNDSA-N
Molecular Weight	512.340 g/mol
SMILES	[C@]1([C@]2([C@@](COC(O2)(C)C)(O[C@@]([C@]1(I)[H])(O[C@@](C=C)(CC#C)[H])[H])[H])[H])(OC(=O)c1ccccc1)[H]
SPLASH	splash10-0a4i-0900000000-27e9cf76265d4d45b329
Source of Spectrum	F-53-8412-(R)G2
Synonyms	Benzoic acid (4aR,6S,7S,8S,8aR)-7-iodo-2,2-dimethyl-6-((R)-1-vinyl-but-3-ynyloxy)-hexahydro-pyrano[3,2-d][1,3]dioxin-8-yl ester benzoic acid [(4aR,6S,7S,8S,8aR)-6-[(3R)-hex-1-en-5-yn-3-yl]oxy-7-iodo-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] ester [(4aR,6S,7S,8S,8aR)-6-[(3R)-hex-1-en-5-yn-3-yl]oxy-7-iodo-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate [(4aR,6S,7S,8S,8aR)-7-iodo-2,2-dimethyl-6-[(1R)-1-vinylbut-3-ynoxy]-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate [(4aR,6S,7S,8S,8aR)-6-[(3R)-hex-1-en-5-yn-3-yl]oxy-7-iodanyl-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] benzoate
Wiley ID	802626