For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
D-Mannose, 2,3:5,6-bis-O-(1-methylethylidene)-1-C-(3-oxocyclohexyl)-, (R)-
SpectraBase Compound ID C8eJO3XBy9K
InChI InChI=1S/C18H28O7/c1-17(2)22-9-12(23-17)14(21)16-15(24-18(3,4)25-16)13(20)10-6-5-7-11(19)8-10/h10,12,14-16,21H,5-9H2,1-4H3/t10-,12-,14-,15-,16+/m1/s1
InChIKey AJSUTRUUMAWHHM-NUBFFXPESA-N
Mol Weight 356.42 g/mol
Molecular Formula C18H28O7
Exact Mass 356.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HYLz4Ce7BnG
Name D-Mannose, 2,3:5,6-bis-O-(1-methylethylidene)-1-C-(3-oxocyclohexyl)-, (R)-
CAS Registry Number 85398-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O7
InChI InChI=1S/C18H28O7/c1-17(2)22-9-12(23-17)14(21)16-15(24-18(3,4)25-16)13(20)10-6-5-7-11(19)8-10/h10,12,14-16,21H,5-9H2,1-4H3/t10-,12-,14-,15-,16+/m1/s1
InChIKey AJSUTRUUMAWHHM-NUBFFXPESA-N
Molecular Weight 356.415 g/mol
SMILES O[C@@]([C@]1([C@](OC(C)(C)O1)(C([C@]1(CC(=O)CCC1)[H])=O)[H])[H])([C@@]1(OC(C)(C)OC1)[H])[H]
SPLASH splash10-0k97-9300000000-62020bebf0a9e1606b75
Source of Spectrum H-65-2269-0
Synonyms (3R)-3-{[(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]carbonyl}cyclohexan-1-one 3-(1-Hydroxy-2,3:5,6-di-O-isopropyliden-D-mannofuranosyl)cyclohexanone (isomer a)
Wiley ID 1345682