For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pregn-4-en-3-one, 20,21-[(cyclohexylborylene)bis(oxy)]-, (20R)-
SpectraBase Compound ID FMtzhcpJwPZ
InChI InChI=1S/C27H41BO3/c1-26-14-12-20(29)16-18(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)25-17-30-28(31-25)19-6-4-3-5-7-19/h16,19,21-25H,3-15,17H2,1-2H3
InChIKey JRCYPTJXTNLMFU-UHFFFAOYSA-N
Mol Weight 424.4 g/mol
Molecular Formula C27H41BO3
Exact Mass 424.314875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6AS9fgsF7zX
Name Pregn-4-en-3-one, 20,21-[(cyclohexylborylene)bis(oxy)]-, (20R)-
CAS Registry Number 30882-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41BO3
InChI InChI=1S/C27H41BO3/c1-26-14-12-20(29)16-18(26)8-9-21-22-10-11-24(27(22,2)15-13-23(21)26)25-17-30-28(31-25)19-6-4-3-5-7-19/h16,19,21-25H,3-15,17H2,1-2H3
InChIKey JRCYPTJXTNLMFU-UHFFFAOYSA-N
Molecular Weight 424.432 g/mol
SMILES CC12C(C3C(CC2)C2(C)C(CC3)=CC(CC2)=O)CCC1C1OB(C2CCCCC2)OC1
SPLASH splash10-00e9-0907300000-f0de45670b63c6cb8396
Source of Spectrum O-5-1436-17
Synonyms 17-(2-Cyclohexyl-1,3,2-dioxaborolan-4-yl)androst-4-en-3-one 17-(2-cyclohexyl-1,3,2-dioxaborolan-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one Pregn-4-en-3-one, 20.beta.,21-dihydroxy-, cyclic cyclohexaneboronate
Wiley ID 1379435