01
Ingredients
[(1s,2r,4s,4ar,5r,6s,8ar)-4-acetoxy-6-hydroxy-1,2-dimethyl-1-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (e)-2-methylbut-2-enoate
C27H38O8
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 3
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- [(1s,2r,4s,4ar,5r,6s,8ar)-4-acetoxy-6-hydroxy-1,2-dimethyl-1-[2-(5-oxo-2h-furan-3-yl)ethyl]spiro[decalin-5,2'-oxirane]-4a-yl]methyl (e)-2-methylbut-2-enoate
- Molecular Formula
- C27H38O8
- Molecular Weight
- No data
- Canonical SMILES
- CC=C(C)C(=O)OCC12C(CCC(C13CO3)O)C(C(CC2OC(=O)C)C)(C)CCC4=CC(=O)OC4
- Isomeric SMILES
- C/C=C(\C)/C(=O)OC[C@@]12[C@H](CC[C@@H]([C@]13CO3)O)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4
- InChI
- InChI=1S/C27H38O8/c1-6-16(2)24(31)33-14-26-20(7-8-21(29)27(26)15-34-27)25(5,10-9-19-12-23(30)32-13-19)17(3)11-22(26)35-18(4)28/h6,12,17,20-22,29H,7-11,13-15H2,1-5H3/b16-6+/t17-,20-,21+,22+,25+,26+,27-/m1/s1
- Oral Bioavailability
- 31.332
- Drug Likeness
- 0.251
- 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.
Source Herbs
herb ingredient1 Herbs
