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1,20-diethyl 9a,11a-dihydroxy-15-methyloxime-2,3,4,5,20-pentanor-19-carboxyprostanoate n-butylboronate ester
SpectraBase Compound ID 5MUlwFdfSwt
InChI InChI=1S/C25H44BNO7/c1-5-8-17-26-33-22-18-23(34-26)21(15-16-25(29)32-7-3)20(22)14-13-19(27-30-4)11-9-10-12-24(28)31-6-2/h20-23H,5-18H2,1-4H3/b27-19+/t20-,21-,22-,23+/m1/s1
InChIKey GEVOAJCFURZEEO-VBGQNSKOSA-N
Mol Weight 481.4 g/mol
Molecular Formula C25H44BNO7
Exact Mass 481.321083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7RWdLfsApV9
Name 1,20-diethyl 9a,11a-dihydroxy-15-methyloxime-2,3,4,5,20-pentanor-19-carboxyprostanoate n-butylboronate ester
Alternate Name(s) Ethyl (6E)-8-[(1S,5R,6R,7R)-3-butyl-7-(3-ethoxy-3-oxopropyl)-2,4-dioxa-3-borabicyclo[3.2.1]oct-6-yl]-6-(methoxyimino)octanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44BNO7
InChI InChI=1S/C25H44BNO7/c1-5-8-17-26-33-22-18-23(34-26)21(15-16-25(29)32-7-3)20(22)14-13-19(27-30-4)11-9-10-12-24(28)31-6-2/h20-23H,5-18H2,1-4H3/b27-19+/t20-,21-,22-,23+/m1/s1
InChIKey GEVOAJCFURZEEO-VBGQNSKOSA-N
Molecular Weight 481.437 g/mol
SMILES [C@]12(OB(O[C@]([C@@]([C@]2(CC\C(=N\OC)CCCCC(=O)OCC)[H])(CCC(=O)OCC)[H])(C1)[H])CCCC)[H]
SPLASH splash10-0uds-5397100000-906d0257b8c38c5ba0aa
Source of Spectrum O-29-360-0
Wiley ID 1395390