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Ingredients

24-ethylcholesta-5,22-dienol

C29H48O

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
24-ethylcholesta-5,22-dienol
Molecular Formula
C29H48O
Molecular Weight
No data
Canonical SMILES
CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCCC4)C)C)C(C)CO
Isomeric SMILES
CCC(C=C[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCCC4)C)C)C(C)CO
InChI
InChI=1S/C29H48O/c1-6-22(21(3)19-30)11-10-20(2)25-14-15-26-24-13-12-23-9-7-8-17-28(23,4)27(24)16-18-29(25,26)5/h10-12,20-22,24-27,30H,6-9,13-19H2,1-5H3/t20-,21?,22?,24+,25-,26+,27+,28+,29-/m1/s1
Oral Bioavailability
43.830
Drug Likeness
0.441
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient2 Herbs
02
芥子
Jie Zi / Semen Sinapis; Sinapis Semen
Jie ZiSemen Sinapis; Sinapis Semen