7753-72-2
5BETA-CHOLANIC ACID-3,7-DIONE METHYL ESTER
Name
5BETA-CHOLANIC ACID-3,7-DIONE METHYL ESTER
pro_formula
C25 H38 O4
pro_molWeight
402.571
1Identification
【Name】
5BETA-CHOLANIC ACID-3,7-DIONE METHYL ESTER
【CAS】
【MDL】
MFCD00271381
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H38 O4
【pro_molWeight】
402.571
【Inchi】
InChI=1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,23+,24+,25-/m1/s1
【InChIKey】
InChIKey=UZRRNRRCPZZPNY-AEVHJRAPSA-N
【SMILES】
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CCC(=O)C4)C)C
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
【secure_wgk_germany】
3
4CMLFile
5BETA-CHOLANIC ACID-3,7-DIONE METHYL ESTER.cml
quick_release
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Alfa Chemistry
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3B Scientific Corporation
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上海氟德化工有限公司
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上海杨化工有限公司
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