01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Stigmastan-7-one
- Molecular Formula
- C29H50O
- Molecular Weight
- No data
- Canonical SMILES
- CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)CC4C3(CCCC4)C)C)C(C)C
- Isomeric SMILES
- CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)CC4[C@@]3(CCCC4)C)C)C(C)C
- InChI
- InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h19-25,27H,7-18H2,1-6H3/t20-,21-,22?,23-,24+,25+,27+,28+,29-/m1/s1
- Oral Bioavailability
- 27.570
- Drug Likeness
- 0.427
- 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
Related Entities
Direct relations and traceable candidates grouped by relation type.