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Methyl 3.beta.-Hydroxy-24-norchola-5,7-dien-23-oate
SpectraBase Compound ID 7skU0REXtGk
InChI InChI=1S/C24H36O3/c1-15(13-22(26)27-4)19-7-8-20-18-6-5-16-14-17(25)9-11-23(16,2)21(18)10-12-24(19,20)3/h5-6,15,17,19-21,25H,7-14H2,1-4H3/t15-,17+,19-,20+,21?,23+,24-/m1/s1
InChIKey AGEYIUWEKKYAPU-OEHDATPQSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDCELjoubsF
Name Methyl 3.beta.-Hydroxy-24-norchola-5,7-dien-23-oate
CAS Registry Number 75716-74-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-15(13-22(26)27-4)19-7-8-20-18-6-5-16-14-17(25)9-11-23(16,2)21(18)10-12-24(19,20)3/h5-6,15,17,19-21,25H,7-14H2,1-4H3/t15-,17+,19-,20+,21?,23+,24-/m1/s1
InChIKey AGEYIUWEKKYAPU-OEHDATPQSA-N
Molecular Weight 372.549 g/mol
SMILES O[C@@]1(CC2=CC=C3[C@]4([C@]([C@]([C@@](CC(=O)OC)(C)[H])([H])CC4)(C)CCC3[C@]2(CC1)C)[H])[H]
SPLASH splash10-0fk9-0409000000-5b00f531d3f6d75f6c1b
Source of Spectrum J-46-457-0
Synonyms Methyl (3R)-3-[(2R,5S,11R,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]butanoate
Wiley ID 1355821