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4H-1,12-Methano-6H-[1,7]dioxacyclododecino[4,3-b]pyrrole-6,10(7H)-dione, 2,3,3a,8,9,12,13,13a-octahydro-8,8-dimethyl-, [3aR-(3aR*,12R*,13aR*)]-
SpectraBase Compound ID LBtoaa2oK5j
InChI InChI=1S/C15H23NO4/c1-15(2)6-13(17)19-9-10-3-4-16-8-11(5-12(10)16)20-14(18)7-15/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
InChIKey QKTMCBVTQRXFMS-QJPTWQEYSA-N
Mol Weight 281.35 g/mol
Molecular Formula C15H23NO4
Exact Mass 281.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bywuwrNYrK
Name 4H-1,12-Methano-6H-[1,7]dioxacyclododecino[4,3-b]pyrrole-6,10(7H)-dione, 2,3,3a,8,9,12,13,13a-octahydro-8,8-dimethyl-, [3aR-(3aR*,12R*,13aR*)]-
CAS Registry Number 125038-84-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23NO4
InChI InChI=1S/C15H23NO4/c1-15(2)6-13(17)19-9-10-3-4-16-8-11(5-12(10)16)20-14(18)7-15/h10-12H,3-9H2,1-2H3/t10-,11+,12+/m0/s1
InChIKey QKTMCBVTQRXFMS-QJPTWQEYSA-N
Molecular Weight 281.352 g/mol
SMILES [C@@]12(N3CC[C@]1(COC(CC(CC(O[C@](C2)(C3)[H])=O)(C)C)=O)[H])[H]
SPLASH splash10-00di-0920000000-00bfcf1057f1b949c39d
Source of Spectrum KC-1989-1341-10
Synonyms (-)-(1R,6R,8R)-6,9-O,O-(3,3-dimethylglutaryl)-6-hydroxy-1-hydroxymethylpyrrolizidine (4R,13R,15R)-9,9-dimethyl-6,12-dioxa-1-azatricyclo[11.2.1.0(4,15)]hexadecane-7,11-dione
Wiley ID 1284868