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(2S,3S,8R,12S,13S,17R)-15-Methyl-3-phenylselenyl-18-oxa-1,15-diazatetracyclo[10.6.0.0(2,9).0(13,16)]octadecan-14,16-dione

View entire compound with spectra: 1 MS (GC)

(2S,3S,8R,12S,13S,17R)-15-Methyl-3-phenylselenyl-18-oxa-1,15-diazatetracyclo[10.6.0.0(2,9).0(13,16)]octadecan-14,16-dione
SpectraBase Compound ID CO3CTYQMTUY
InChI InChI=1S/C22H28N2O3Se/c1-23-21(25)18-16-13-12-14-8-4-2-7-11-17(28-15-9-5-3-6-10-15)19(14)24(16)27-20(18)22(23)26/h3,5-6,9-10,14,16-20H,2,4,7-8,11-13H2,1H3/t14-,16+,17+,18+,19+,20-/m1/s1
InChIKey PMQUOWLPRNMDKS-FCRAODNPSA-N
Mol Weight 447.45 g/mol
Molecular Formula C22H28N2O3Se
Exact Mass 448.126515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqrSPd9AsLT
Name (2S,3S,8R,12S,13S,17R)-15-Methyl-3-phenylselenyl-18-oxa-1,15-diazatetracyclo[10.6.0.0(2,9).0(13,16)]octadecan-14,16-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O3Se
InChI InChI=1S/C22H28N2O3Se/c1-23-21(25)18-16-13-12-14-8-4-2-7-11-17(28-15-9-5-3-6-10-15)19(14)24(16)27-20(18)22(23)26/h3,5-6,9-10,14,16-20H,2,4,7-8,11-13H2,1H3/t14-,16+,17+,18+,19+,20-/m1/s1
InChIKey PMQUOWLPRNMDKS-FCRAODNPSA-N
Molecular Weight 447.449 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)(ON2[C@]1(CC[C@]1(CCCCC[C@@]([C@@]21[H])([Se]c1ccccc1)[H])[H])[H])[H])[H]
SPLASH splash10-0abc-6290100000-adac1677ef0f13b3cef3
Source of Spectrum KC-57-7041-5
Synonyms (1S,6aR,8aS,8bS,11aR,13aS)-10-methyl-1-(phenylselanyl)dodecahydrocycloocta[e]pyrrolo[3',4':4,5]isoxazolo[2,3-a]pyridine-9,11(2H,10H)-dione exo-15-Methyl-3-phenylselenyl-18-oxa-1,15-diazatetracyclo[10.6.0.0(2,9).0(13,16)]octadecan-14,16-dione
Wiley ID 1625350