Chem
J-GLOBAL ID：200907095587771013   Nikkaji number：J2.572.528J

(25R)-Dafachronic acid A

(25R)-ダファクロン酸A
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： C27H42O3
Molecular formula furigana： C27-H42-O3
Molecular weight： 414.630
InChI： InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18-,19+,22-,23+,24+,26+,27-/m1/s1
InChI key： SQTAVUCHOVVOFD-QAIVWSEESA-N
SMILES： C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (25R)-3-オキソ-5α-コレスタ-7-エン-26-酸
  • (2R,6R)-6-[(1R,3aR,5aS,9aS,9bR,11aR)-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-メチルヘプタン酸
  • (2R,6R)-6-[(1R,3aR,5aS,9aS,9bR,11aR)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
Other name (5)：
  • (25R)-3-Oxo-5α-cholesta-7-ene-26-oic acid
  • (25R)-ダファクロン酸A
  • (25R)-Dafachronic acid A
  • (25R)-Δ7-ダファクロン酸
  • (25R)-Δ7-Dafachronic acid
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