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Home > Products > Specialty & Industrial Chemicals > Specialty Chemicals > 6-Ethylchenodeoxycholic acid
6-Ethylchenodeoxycholic acid structure, CAS 459789-99-2

6-Ethylchenodeoxycholic acid

CAS Number459789-99-2

Synonyms6α-ethyl-chenodeoxycholic acid; 6alpha-Ethyl-chenodeoxycholic acid; Obeticholic acid; 1osv; 6-Ethylchenodeoxycholic acid; INT-747; (3α,5β,6α,7α,8ξ)-6-Ethyl-3,7-dihydroxycholan-24-oic acid; UNII-0462Z4S4OZ; 6-ECDCA; OCA; CHC

Molecular FormulaC26H44O4

Molecular Weight420.63

Purity≥98 (HPLC)%

Density1.1±0.1 g/cm3

Boiling Point562.9±25.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9057283 Purity: ≥98 (HPLC)%
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Quality Control of [ 459789-99-2 ] Purity: ≥98 (HPLC)% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number459789-99-2
Catalog No.2A-9057283
Chinese Name奥贝胆酸
Synonyms6α-ethyl-chenodeoxycholic acid; 6alpha-Ethyl-chenodeoxycholic acid; Obeticholic acid; 1osv; 6-Ethylchenodeoxycholic acid; INT-747; (3α,5β,6α,7α,8ξ)-6-Ethyl-3,7-dihydroxycholan-24-oic acid; UNII-0462Z4S4OZ; 6-ECDCA; OCA; CHC
Molecular FormulaC26H44O4
Molecular Weight420.63
Purity≥98 (HPLC)
Density1.1±0.1 g/cm3
Boiling Point562.9±25.0 °C at 760 mmHg
Appearancepowder
Storage Conditionroom temperature, dry
ApplicationINT-747 is a potent, selective farnesoid X receptor (FXR) agonist with an EC50 value of 99 nM.
MDL NumberMFCD16621104
SMILESC[C@@H]([C@@]1([H])CC[C@@]([H])([C@@]2([C@@H]([C@@H]([C@@]3(C[C@@H](CC[C@@]3([C@]2(CC4)[H])C)O)[H])CC)O)[H])[C@@]14C)CCC(O)=O
InChI1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1
InChI KeyZXERDUOLZKYMJM-ZWECCWDJSA-N
NACRES CodeNA.77
UNSPSC12352106
MSDSmsds/57283_1_459789_99_2.pdf
Transport InfoProduct Name: Obeticholic acid
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