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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H42O4
Molecular Weight 406.5986
Optical Activity ( + )
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl hyodeoxycholate

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=BWDRDVHYVJQWBO-QWXHOCAMSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl hyodeoxycholate
Common Name English
Cholan-24-oic acid, 3,6-dihydroxy-, methyl ester, (3?,5?,6?)-
Preferred Name English
Methyl (3?,5?,6?)-3,6-dihydroxycholan-24-oate
Systematic Name English
Code System Code Type Description
PUBCHEM
6451460
Created by admin on Mon Mar 31 18:55:24 GMT 2025 , Edited by admin on Mon Mar 31 18:55:24 GMT 2025
PRIMARY
FDA UNII
KRQ8RBS2Z4
Created by admin on Mon Mar 31 18:55:24 GMT 2025 , Edited by admin on Mon Mar 31 18:55:24 GMT 2025
PRIMARY
EPA CompTox
DTXSID40182834
Created by admin on Mon Mar 31 18:55:24 GMT 2025 , Edited by admin on Mon Mar 31 18:55:24 GMT 2025
PRIMARY
CAS
2868-48-6
Created by admin on Mon Mar 31 18:55:24 GMT 2025 , Edited by admin on Mon Mar 31 18:55:24 GMT 2025
PRIMARY