Chem
J-GLOBAL ID：201707020309848334   Nikkaji number：J3.666.654D

DCha-20

3α-(2-ヒドロキシ-2-メチルプロピル)-5β-コラン-24-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： C28H48O3
Molecular formula furigana： C28-H48-O3
Molecular weight： 432.689
InChI： InChI=1S/C28H48O3/c1-18(6-11-25(29)30)22-9-10-23-21-8-7-20-16-19(17-26(2,3)31)12-14-27(20,4)24(21)13-15-28(22,23)5/h18-24,31H,6-17H2,1-5H3,(H,29,30)/t18-,19-,20-,21+,22-,23+,24+,27+,28-/m1/s1
InChI key： YEJWIEPCSOSHIJ-CUYCEIPOSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC(C)(C)O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 3α-(2-ヒドロキシ-2-メチルプロピル)-5β-コラン-24-酸
  • (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-(2-ヒドロキシ-2-メチルプロピル)-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,3bR,5aR,7R,9aS,9bS,11aR)-7-(2-hydroxy-2-methylpropyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (2)：
  • 3α-(2-Hydroxy-2-methylpropyl)-5β-cholane-24-oic acid
  • DCha-20
Thsaurus map：
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