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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O2
Molecular Weight 318.4935
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETIOCHOLANIC ACID METHYL ESTER

SMILES

[H][C@@]12CC[C@H](C(=O)OC)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@]4([H])CCCC[C@]34C

InChI

InChIKey=UYRKOPHGLDACOQ-WPWXJNKXSA-N
InChI=1S/C21H34O2/c1-20-12-5-4-6-14(20)7-8-15-16-9-10-18(19(22)23-3)21(16,2)13-11-17(15)20/h14-18H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H34O2
Molecular Weight 318.4935
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:59:39 GMT 2023
Edited
by admin
on Sat Dec 16 10:59:39 GMT 2023
Record UNII
8A5WR4PE3K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETIOCHOLANIC ACID METHYL ESTER
MI  
Common Name English
ETIOCHOLANIC ACID METHYL ESTER [MI]
Common Name English
5.BETA.-ANDROSTANE-17.BETA.-CARBOXYLIC ACID, METHYL ESTER
Systematic Name English
Code System Code Type Description
FDA UNII
8A5WR4PE3K
Created by admin on Sat Dec 16 10:59:39 GMT 2023 , Edited by admin on Sat Dec 16 10:59:39 GMT 2023
PRIMARY
CAS
88929-08-2
Created by admin on Sat Dec 16 10:59:39 GMT 2023 , Edited by admin on Sat Dec 16 10:59:39 GMT 2023
PRIMARY
MERCK INDEX
m5186
Created by admin on Sat Dec 16 10:59:39 GMT 2023 , Edited by admin on Sat Dec 16 10:59:39 GMT 2023
PRIMARY Merck Index
PUBCHEM
90479161
Created by admin on Sat Dec 16 10:59:39 GMT 2023 , Edited by admin on Sat Dec 16 10:59:39 GMT 2023
PRIMARY