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Pregn-17(20)-en-3-one, 20,21-[(butylborylene)bis(oxy)]-, (5.alpha.)-
SpectraBase Compound ID 3ZHrmVRGPvq
InChI InChI=1S/C25H39BO3/c1-4-5-14-26-28-16-23(29-26)22-9-8-20-19-7-6-17-15-18(27)10-12-24(17,2)21(19)11-13-25(20,22)3/h17,19-21H,4-16H2,1-3H3/b23-22+
InChIKey VSNBGQSHAQADBW-GHVJWSGMSA-N
Mol Weight 398.4 g/mol
Molecular Formula C25H39BO3
Exact Mass 398.299225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n7Lp6yNhM6
Name Pregn-17(20)-en-3-one, 20,21-[(butylborylene)bis(oxy)]-, (5.alpha.)-
Alternate Name(s) 17-(2-Butyl-1,3,2-dioxaborolan-4-ylidene)androstan-3-one (17E)-17-(2-butyl-1,3,2-dioxaborolan-4-ylidene)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Registry Number 35315-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H39BO3
InChI InChI=1S/C25H39BO3/c1-4-5-14-26-28-16-23(29-26)22-9-8-20-19-7-6-17-15-18(27)10-12-24(17,2)21(19)11-13-25(20,22)3/h17,19-21H,4-16H2,1-3H3/b23-22+
InChIKey VSNBGQSHAQADBW-GHVJWSGMSA-N
Molecular Weight 398.394 g/mol
SMILES CCCCB1OC\C(O1)=C\1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
SPLASH splash10-0udi-0902000000-cd60efa048ff50d9387f
Source of Spectrum O-5-1436-20
Wiley ID 56962