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Methyl 1.alpha.,3.beta.-dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oate

View entire compound with spectra: 1 MS (GC)

Methyl 1.alpha.,3.beta.-dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oate
SpectraBase Compound ID JCvF6aadGAw
InChI InChI=1S/C24H36O4/c1-15(12-23(27)28-4)20-9-10-21-17(6-5-11-24(20,21)3)7-8-18-13-19(25)14-22(26)16(18)2/h7-8,15,19-22,25-26H,2,5-6,9-14H2,1,3-4H3/b17-7+,18-8-/t15-,19-,20-,21+,22+,24-/m1/s1
InChIKey CQPJQSKKAKKBPF-JIOPYBTOSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tNTaPMBKoN
Name Methyl 1.alpha.,3.beta.-dihydroxy-24-nor-9,10-seco-5,7,10(19)-cholatrien-23-oate
Alternate Name(s) Methyl (3R)-3-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]butanoate (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoic acid methyl ester Methyl (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoate Methyl (3R)-3-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoate Methyl (3R)-3-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]butanoate
CAS Registry Number 71203-48-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-15(12-23(27)28-4)20-9-10-21-17(6-5-11-24(20,21)3)7-8-18-13-19(25)14-22(26)16(18)2/h7-8,15,19-22,25-26H,2,5-6,9-14H2,1,3-4H3/b17-7+,18-8-/t15-,19-,20-,21+,22+,24-/m1/s1
InChIKey CQPJQSKKAKKBPF-JIOPYBTOSA-N
Molecular Weight 388.548 g/mol
SMILES O[C@]1(C[C@@](C\C(C1=C)=C/C=C/1[C@]2([C@@]([C@](CC2)([C@@](CC(=O)OC)(C)[H])[H])(CCC1)C)[H])(O)[H])[H]
SPLASH splash10-0ff0-0809000000-4d69d308badf48ca70ab
Source of Spectrum J-46-458-0
Wiley ID 1364041