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Cholest-7-en-3-ol, 4,4-dimethyl-, acetate, (3.beta.)-
SpectraBase Compound ID EN7z8qRPLIz
InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,20-21,24-28H,9-11,13-19H2,1-8H3
InChIKey KPBRNIXLCMGZJO-UHFFFAOYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C31H52O2
Exact Mass 456.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITclwUMnH0I
Name Cholest-7-en-3-ol, 4,4-dimethyl-, acetate, (3.beta.)-
Alternate Name(s) 4,4-Dimethylcholest-7-en-3-yl acetate Cholest-7-en-3.beta.-ol, 4,4-dimethyl-, acetate Acetic acid [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [17-(1,5-dimethylhexyl)-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate [4,4,10,13-tetramethyl-17-(6-methylheptan-2-yl)-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
CAS Registry Number 17137-72-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O2
InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)24-13-14-25-23-12-15-27-29(5,6)28(33-22(4)32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,20-21,24-28H,9-11,13-19H2,1-8H3
InChIKey KPBRNIXLCMGZJO-UHFFFAOYSA-N
Molecular Weight 456.755 g/mol
SMILES CC12C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)=CCC2C(C)(C)C(CC1)OC(C)=O
SPLASH splash10-0a4l-8921000000-69b872f08bade39ba7d2
Source of Spectrum T-67-5005-0
Wiley ID 61088