Diacetyl obscuraminol A

SpectraBase Compound ID	57WVOIhZXDL
InChI	InChI=1S/C22H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26-21(4)25)19(2)23-20(3)24/h6-7,9-10,12-13,15-16,19,22H,5,8,11,14,17-18H2,1-4H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-/t19-,22+/m0/s1
InChIKey	HQDNKZPSRKEKML-AMDVFJPASA-N Google Search
Mol Weight	361.5 g/mol
Molecular Formula	C22H35NO3
Exact Mass	361.261694 g/mol

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SpectraBase Spectrum ID	FHlnldhiFmN
Name	Diacetyl obscuraminol A
Alternate Name(s)	(1R,4Z,7Z,10Z,13Z)-1-[(1S)-1-(acetylamino)ethyl]-4,7,10,13-hexadecatetraenyl acetate Acetic acid[(1R,4Z,7Z,10Z,13Z)-1-[(1S)-1-acetamidoethyl]hexadeca-4,7,10,13-tetraenyl]ester Acetic acid[(2S,3R,6Z,9Z,12Z,15Z)-2-acetamidooctadeca-6,9,12,15-tetraen-3-yl]ester [(1R,4Z,7Z,10Z,13Z)-1-[(1S)-1-acetamidoethyl]hexadeca-4,7,10,13-tetraenyl]acetate [(2S,3R,6Z,9Z,12Z,15Z)-2-acetamidooctadeca-6,9,12,15-tetraen-3-yl]acetate [(2S,3R,6Z,9Z,12Z,15Z)-2-acetamidooctadeca-6,9,12,15-tetraen-3-yl]ethanoate Acetic acid [(2S,3R,6Z,9Z,12Z,15Z)-2-acetamidooctadeca-6,9,12,15-tetraen-3-yl] ester [(2S,3R,6Z,9Z,12Z,15Z)-2-acetamidooctadeca-6,9,12,15-tetraen-3-yl] acetate [(1R,4Z,7Z,10Z,13Z)-1-[(1S)-1-acetamidoethyl]hexadeca-4,7,10,13-tetraenyl] acetate [(2S,3R,6Z,9Z,12Z,15Z)-2-acetamidooctadeca-6,9,12,15-tetraen-3-yl] ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H35NO3
InChI	InChI=1S/C22H35NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26-21(4)25)19(2)23-20(3)24/h6-7,9-10,12-13,15-16,19,22H,5,8,11,14,17-18H2,1-4H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-/t19-,22+/m0/s1
InChIKey	HQDNKZPSRKEKML-AMDVFJPASA-N
Molecular Weight	361.526 g/mol
SMILES	N(C(=O)C)[C@]([C@](OC(=O)C)(CC\C=C/C\C=C/C\C=C/C\C=C/CC)[H])(C)[H]
SPLASH	splash10-000l-9210000000-3b21eaaecf6682703786
Source of Spectrum	KC-57-4585-1
Wiley ID	1624229