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Cholest-5-en-3-one - 3-(3'-piperidinylpropene)-ketal
SpectraBase Compound ID 5GeLUTqDZ6x
InChI InChI=1S/C35H59NO2/c1-25(2)10-9-11-26(3)30-14-15-31-29-13-12-27-22-35(19-18-33(27,4)32(29)16-17-34(30,31)5)37-24-28(38-35)23-36-20-7-6-8-21-36/h12,25-26,28-32H,6-11,13-24H2,1-5H3
InChIKey GXUGWZGOERQCFL-UHFFFAOYSA-N
Mol Weight 525.9 g/mol
Molecular Formula C35H59NO2
Exact Mass 525.45458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2enMyhJaX2h
Name Cholest-5-en-3-one - 3-(3'-piperidinylpropene)-ketal
Alternate Name(s) 1-[2',15'-dimethyl-14'-(6-methylheptan-2-yl)spiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan]-7'-en-4-ylmethyl]piperidine Cholest-5-en-3-one 3-Piperidinopropylene Acetal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H59NO2
InChI InChI=1S/C35H59NO2/c1-25(2)10-9-11-26(3)30-14-15-31-29-13-12-27-22-35(19-18-33(27,4)32(29)16-17-34(30,31)5)37-24-28(38-35)23-36-20-7-6-8-21-36/h12,25-26,28-32H,6-11,13-24H2,1-5H3
InChIKey GXUGWZGOERQCFL-UHFFFAOYSA-N
Molecular Weight 525.862 g/mol
SMILES C12(C(C3CC=C4C(C3CC2)(CCC2(OC(CN3CCCCC3)CO2)C4)C)CCC1C(CCCC(C)C)C)C
SPLASH splash10-0002-9000000000-ebb2316e4c5216b56d9e
Source of Spectrum AJ-75-2210-1
Wiley ID 1577206