Chem
J-GLOBAL ID:200907066803971677
Nikkaji number:J2.007.345D
6-ECDCA
6-ECDCA
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C26 H44 O4
Molecular formula furigana:
C26-H44-O4
Molecular weight:
420.634
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
InChI key:
ZXERDUOLZKYMJM-ZWECCWDJSA-N
SMILES:
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@@H]12
Systematic name (7):
3α,7α-ジヒドロキシ-6α-エチル-5β-コラン酸
3α,7α-ジヒドロキシ-6α-エチル-5β-コラン-24-酸
6α-エチル-3α,7α-ジヒドロキシ-5β-コラン-24-酸
(3α,5β,6α,7α)-6-エチル-3,7-ジヒドロキシコラン-24-酸
(3R,6R,7R)-6-エチル-3,7-ジヒドロキシ-5β-コラン-24-酸
(4R)-4-[(1R,3aS,3bS,4R,5R,5aS,7R,9aS,9bS,11aR)-5-エチル-4,7-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタン酸
(4R)-4-[(1R,3aS,3bS,4R,5R,5aS,7R,9aS,9bS,11aR)-5-ethyl-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
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Other name (15):
3α,7α-Dihydroxy-6α-ethyl-5β-cholanic acid
3α,7α-Dihydroxy-6α-ethyl-5β-cholane-24-oic acid
6α-Ethyl-3α,7α-dihydroxy-5β-cholane-24-oic acid
6-Ethylchenodeoxycholic acid
6-ECDCA
6-Ethyl-CDCA
6α-Ethylchenodeoxycholic acid
6α-エチルケノデオキシコール酸
6-エチルケノデオキシコール酸
Obeticholic acid
(3α,5β,6α,7α)-6-Ethyl-3,7-dihydroxycholane-24-oic acid
オベチコール酸
INT-747
オベティコール酸
(3R,6R,7R)-6-Ethyl-3,7-dihydroxy-5β-cholane-24-oic acid
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CAS registry number:
459789-99-2
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