METHYL 7ALPHA,12ALPHA-DIHYDROXY-3-OXO-5BETA-CHOLAN-24-OATE

CAS No.
14772-99-7
CCD No.
CCD00093401
Formula
C25 H40 O5
MolWeight
420.586

Basic Information

Product Name: METHYL 7ALPHA,12ALPHA-DIHYDROXY-3-OXO-5BETA-CHOLAN-24-OATE
CAS: 14772-99-7
English Synonyms: 3-DEHYDROCHOLIC ACID METHYL ESTER ; 5BETA-CHOLANIC ACID-7ALPHA,12ALPHA-DIOL-3-ONE METHYL ESTER ; METHYL 7ALPHA,12ALPHA-DIHYDROXY-3-OXO-5BETA-CHOLAN-24-OATE ; METHYL-3-KETOCHOLATE
MDL Number.: MFCD00200688
H bond acceptor: 5
H bond donor: 2
Smile: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C
InChi: InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
InChiKey: InChIKey=CIZOGAIBGCZRCL-PXOOZVEKSA-N

Property

Safety information

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