01
Ingredients
[(1s,2r,4s,4ar,5r,8ar)-4-acetoxy-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
C27H38O7
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 4
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- [(1s,2r,4s,4ar,5r,8ar)-4-acetoxy-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
- C27H38O7
- Molecular Weight
- No data
- Canonical SMILES
- CC=C(C)C(=O)OCC12C(CCCC13CO3)C(C(CC2OC(=O)C)C)(C)CCC4=CC(=O)OC4
- Isomeric SMILES
- C/C=C(\C)/C(=O)OC[C@@]12[C@H](CCC[C@]13CO3)[C@@]([C@@H](C[C@@H]2OC(=O)C)C)(C)CCC4=CC(=O)OC4
- InChI
- InChI=1S/C27H38O7/c1-6-17(2)24(30)32-16-27-21(8-7-10-26(27)15-33-26)25(5,11-9-20-13-23(29)31-14-20)18(3)12-22(27)34-19(4)28/h6,13,18,21-22H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26+,27+/m1/s1
- Oral Bioavailability
- 46.265
- Drug Likeness
- 0.235
- 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