Chem
J-GLOBAL ID：200907010502513546   Nikkaji number：J2.196.007A

(25R)-Δ4-Dafachronic acid

(25R)-Δ4-ダファクロン酸
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/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1
InChI key： PSXQJZDFWDKBIP-MNVVPKPGSA-N
SMILES： C[C@H](CCC[C@@H](C)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (25R)-3-オキソコレスタ-4-エン-26-酸
  • (2R,6R)-6-[(1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,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,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
Other name (3)：
  • (25R)-3-Oxocholesta-4-ene-26-oic acid
  • (25R)-Δ4-ダファクロン酸
  • (25R)-Δ4-Dafachronic acid
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