Chem
J-GLOBAL ID:200907066803971677   Nikkaji number:J2.007.345D

6-ECDCA

6-ECDCA
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: C26H44O4
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
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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
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CAS registry number: 459789-99-2
KEGG COMPOUND: C15636
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