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1-Decanone, 1-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-, [4S-[4.alpha.(S*),5.alpha.[S*(S*)]]]-
SpectraBase Compound ID 7cL2kpn2EKp
InChI InChI=1S/C21H38O7/c1-6-7-8-9-10-11-12-14(22)16(23)18-19(28-21(4,5)27-18)17(24)15-13-25-20(2,3)26-15/h14-15,17-19,22,24H,6-13H2,1-5H3/t14?,15-,17?,18-,19-/m1/s1
InChIKey WGQPNWYUZSTULR-KYZWJYDRSA-N
Mol Weight 402.5 g/mol
Molecular Formula C21H38O7
Exact Mass 402.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xqkMmzCJsn
Name 1-Decanone, 1-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-, [4S-[4.alpha.(S*),5.alpha.[S*(S*)]]]-
Alternate Name(s) 1-Decanone, 1-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-, [4S-[4.alpha.(R*),5.alpha.[S*(S*)]]]- 1-[(4S,5R)-5-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl](hydroxy)methyl}-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxydecan-1-one 3,4:6,7-di-O-isopropyliden-1-octyl-D-manno-D-glycero-heptulofuranose 3,4:6,7-di-O-isopropyliden-1-octyl-D-manno-L-glycero-heptulofuranose
CAS Registry Number 85398-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O7
InChI InChI=1S/C21H38O7/c1-6-7-8-9-10-11-12-14(22)16(23)18-19(28-21(4,5)27-18)17(24)15-13-25-20(2,3)26-15/h14-15,17-19,22,24H,6-13H2,1-5H3/t14?,15-,17?,18-,19-/m1/s1
InChIKey WGQPNWYUZSTULR-KYZWJYDRSA-N
Molecular Weight 402.528 g/mol
SMILES OC([C@@]1([C@@](C(C(O)CCCCCCCC)=O)(OC(O1)(C)C)[H])[H])[C@@]1(OC(C)(C)OC1)[H]
SPLASH splash10-0zfu-9710000000-2f54d97221d089beea83
Source of Spectrum H-65-2265-0
Wiley ID 1370319