主记录
Obeticholic acid
- CAS
- 459789-99-2
- PubChem CID
- 447715
- SMILES
- CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
- 分子式
- C26H44O4
- 分子量
- 420.634
- 精确分子量
- 420.324
- InChI
- InChI=1S/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
- InChIKey
- ZXERDUOLZKYMJM-ZWECCWDJSA-N
- LogP
- 5.114
- TPSA
- 77.76
名称与别名
- Obeticholic acid
- 6-Ethylchenodeoxycholic acid
- Ocaliva
- 6-ECDCA
- Obetichloic acid
- INT-747
- 459789-99-2
- 6-Ethyl-CDCA
- acido obeticolico
- ObeticholicAcid
- Obticholic acid
- acide obeticholique
- 1osv
- 6ECDCA
- acidum obeticholicum
- Ocaliva (TN)
- INT747
- 6alpha-Ethyl-chenodeoxycholic acid
- 6-Et CDCA
- Obeticholic acid [USAN]
- DSP-1747
- INT 747
- RefChem:57128
- 6alpha-ethylchenodeoxycholic acid
- UNII-0462Z4S4OZ
- 6-ethyl chenodeoxycholic acid
- D0M4WA
- AC1L9L5G
- DSP1747
- Obeticholic acid [USAN:INN]