4-Hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
Basic information
- CAS
1011492-21-9- Standard SMILES
C=C1CCC2C(C)(CO)C(O)CCC2(C)C1CC=C1C(=O)OCC1O- InChIKey
BOJKULTULYSRAS-UHFFFAOYSA-N- Molecular formula
- C20H30O5
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.20932405
Overview
andrographolides has been reported in Andrographis with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one
- IUPAC
- 4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one
Names & synonyms
4-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-decalin-1-yl]ethylidene]tetrahydrofuran-2-one1011492-21-9SCHEMBL62263DTXSID60859910UJB80757s22614-hydroxy-3-[2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-oneNCI60_0036754-Hydroxy-3-{2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}oxolan-2-one
Database identifiers
- CAS
1011492-21-9- PubChem CID
- 343585
- DTXSID
DTXSID60859910
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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