Chem
J-GLOBAL ID：200907017170153553   Nikkaji number：J1.678.320J

3α,3′α-[Pyridine-3,5-diylbis(carbonyloxy)]bis(5β-cholane-24-oic acid)

3α,3′α-[ピリジン-3,5-ジイルビス(カルボニルオキシ)]ビス(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： C55H81NO8
Molecular formula furigana： C55-H81-N-O8
Molecular weight： 884.252
InChI： InChI=1S/C55H81NO8/c1-32(7-17-48(57)58)42-13-15-44-40-11-9-36-28-38(19-23-52(36,3)46(40)21-25-54(42,44)5)63-50(61)34-27-35(31-56-30-34)51(62)64-39-20-24-53(4)37(29-39)10-12-41-45-16-14-43(33(2)8-18-49(59)60)55(45,6)26-22-47(41)53/h27,30-33,36-47H,7-26,28-29H2,1-6H3,(H,57,58)(H,59,60)/t32-,33-,36-,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47+,52+,53+,54-,55-/m1/s1
InChI key： HATJWTIJVSCNKV-JLKOVVTJSA-N
SMILES： C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c1cncc(c1)C(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@H]23)C1
Systematic name  (3)：
  • 3α,3′α-[ピリジン-3,5-ジイルビス(カルボニルオキシ)]ビス(5β-コラン-24-酸)
  • (4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-[5-({[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-4-カルボキシブタン-2-イル]-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-7-イル]オキシ}カルボニル)ピリジン-3-カルボニルオキシ]-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,3bR,5aR,7R,9aS,9bS,11aR)-7-[5-({[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-4-carboxybutan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}carbonyl)pyridine-3-carbonyloxy]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (1)：
  • 3α,3′α-[Pyridine-3,5-diylbis(carbonyloxy)]bis(5β-cholane-24-oic acid)
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM