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7-Angeloyl-9-(2'-methylbutyryl)-Retrocenine

View entire compound with spectra: 1 MS (GC)

7-Angeloyl-9-(2'-methylbutyryl)-Retrocenine
SpectraBase Compound ID WZySml0zkQ
InChI InChI=1S/C18H27NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h6-7,12,15-16H,5,8-11H2,1-4H3/b13-6+/t12?,15-,16-/m1/s1
InChIKey HCWYTYBGRVJHCP-LMSYJOKPSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vGC4EH0tdd
Name 7-Angeloyl-9-(2'-methylbutyryl)-Retrocenine
Alternate Name(s) 2-Methylbutanoic acid [(7R,8R)-7-[(E)-2-methyl-1-oxobut-2-enoxy]-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl ester [(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-5-12(3)17(20)22-11-14-7-9-19-10-8-15(16(14)19)23-18(21)13(4)6-2/h6-7,12,15-16H,5,8-11H2,1-4H3/b13-6+/t12?,15-,16-/m1/s1
InChIKey HCWYTYBGRVJHCP-LMSYJOKPSA-N
Molecular Weight 321.417 g/mol
SMILES [C@]1([C@]2(C(=CCN2CC1)COC(=O)C(CC)C)[H])(OC(\C(=C\C)C)=O)[H]
SPLASH splash10-00dl-9550000000-6265e7e8d35e8308c16c
Source of Spectrum G4-59-311-12
Wiley ID 1606256