Chem
J-GLOBAL ID:200907013006096330
Nikkaji number:J1.934.681A
Lithocholic acid propionate
リトコール酸プロピオナート
Download MOL file
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:
C27 H44 O4
Molecular formula furigana:
C27-H44-O4
Molecular weight:
432.645
InChI:
InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1
InChI key:
RDIKLWFVJHJCMN-RMXYKXGFSA-N
SMILES:
CCC(=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 (5):
3α-(プロパノイルオキシ)-5β-コラン酸
リトコール酸プロピオナート
3α-(プロピオニルオキシ)-5β-コラン酸
(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-ジメチル-7-(プロパノイルオキシ)-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)-9a,11a-dimethyl-7-(propanoyloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Other name (3):
3α-(Propanoyloxy)-5β-cholanic acid
Lithocholic acid propionate
3α-(Propionyloxy)-5β-cholanic acid
Thsaurus map:
Return to Previous Page