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

*Links on SpectraBase are not permalinks.
7,9-Diazabicyclo[4.2.2]decane-8,10-dione, 1-hydroxy-2-methylene-6-(1,2,3-trihydroxy-2-methylpropyl)-, [1.alpha.,5.beta.(1R*,2S*)]-(.+-.)-
SpectraBase Compound ID 40a14f2TlXc
InChI InChI=1S/C13H20N2O6/c1-7-4-3-5-12(8(17)11(2,20)6-16)9(18)15-13(7,21)10(19)14-12/h8,16-17,20-21H,1,3-6H2,2H3,(H,14,19)(H,15,18)/t8?,11-,12-,13-/m0/s1
InChIKey NLJZJYXRTVNVRF-ALNDVFNJSA-N
Mol Weight 300.31 g/mol
Molecular Formula C13H20N2O6
Exact Mass 300.132136 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 KADLGfHoCnq
Name 7,9-Diazabicyclo[4.2.2]decane-8,10-dione, 1-hydroxy-2-methylene-6-(1,2,3-trihydroxy-2-methylpropyl)-, [1.alpha.,5.beta.(1R*,2S*)]-(.+-.)-
Alternate Name(s) (1R)-1-hydroxy-2-methylene-6-[(2S)-1,2,3-trihydroxy-2-methylpropyl]-7,9-diazabicyclo[4.2.2]decane-8,10-dione 2-Desoxy-2-methylenebicyclomycin
CAS Registry Number 135366-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N2O6
InChI InChI=1S/C13H20N2O6/c1-7-4-3-5-12(8(17)11(2,20)6-16)9(18)15-13(7,21)10(19)14-12/h8,16-17,20-21H,1,3-6H2,2H3,(H,14,19)(H,15,18)/t8?,11-,12-,13-/m0/s1
InChIKey NLJZJYXRTVNVRF-ALNDVFNJSA-N
Molecular Weight 300.311 g/mol
SMILES N1C([C@]2(C(CCC[C@]1(C([C@](CO)(O)C)O)C(N2)=O)=C)O)=O
SPLASH splash10-03di-0901000000-ba5eabe1d3ff769f175f
Source of Spectrum C-113-6633-3
Wiley ID 1302474