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5-ALPHA,8-ALPHA-EPIDIOXY-24(R)-ETHYLCHOLEST-6-EN-3-BETA-OL
SpectraBase Compound ID FzsP83Ta7OA
InChI InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h16-17,19-25,30H,7-15,18H2,1-6H3/t20?,21-,22+,23?,24?,25?,26-,27-,28-,29+/m1/s1
InChIKey ATCFNZAMMARYGL-RBWFDRMGSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14VsXMNcNgm
Name (24S / 24R)-5.alpha.,8.alpha.-epi-Dioxy-24-ethylcholest-6-en-3.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h16-17,19-25,30H,7-15,18H2,1-6H3/t20?,21-,22+,23?,24?,25?,26-,27-,28-,29+/m1/s1
InChIKey ATCFNZAMMARYGL-RBWFDRMGSA-N
Molecular Weight 444.700 g/mol
SMILES O[C@@]1(C[C@]23C=C[C@@]4(C5[C@](C(C(CC[C@](C(C)C)(CC)[H])C)CC5)(C)CCC4[C@]2(CC1)C)OO3)[H]
SPLASH splash10-01t9-0001900000-abbb3e5ff788c66173c1
Source of Spectrum I-78-991-8
Synonyms (1S,6R,10R,13S,15S)-5-[(4R)-4-ethyl-1,5-dimethylhexyl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.0(1,9).0(2,6).0(10,15)]nonadec-18-en-13-ol
Wiley ID 812867