HYODEOXYCHOLIC ACID METHYL ESTER

CAS No.
2868-48-6
CCD No.
CCD00040149
Formula
C25 H42 O4
MolWeight
406.603

Basic Information

Product Name: HYODEOXYCHOLIC ACID METHYL ESTER
CAS: 2868-48-6
English Synonyms: 5BETA-CHOLANIC ACID-3ALPHA,6ALPHA-DIOL METHYL ESTER ; 3ALPHA,6ALPHA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER ; HYODEOXYCHOLIC ACID METHYL ESTER ; METHYL HYODEOXYCHOLATE
MDL Number.: MFCD00059509
H bond acceptor: 4
H bond donor: 2
Smile: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChi: InChI=1S/C25H42O4/c1-15(5-8-23(28)29-4)18-6-7-19-17-14-22(27)21-13-16(26)9-11-25(21,3)20(17)10-12-24(18,19)2/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21+,22+,24-,25-/m1/s1
InChiKey: InChIKey=BWDRDVHYVJQWBO-QWXHOCAMSA-N

Property

Safety information

WGK Germany: 3

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