Basic information
- CAS
171499-81-3- Standard SMILES
CC(=O)OC(CC1C=C(C)C(=O)O1)C(C)C1CCC2C3(C)CCC(O)C(C)(C)C3CCC2(C)C12COC(=O)C2- InChIKey
CMKWUYXJKXGQMH-UHFFFAOYSA-N- Molecular formula
- C32H48O7
- Average molar mass
- 544.7 g/mol
- Monoisotopic mass
- 544.34000387
Overview
Hovenidulcigenin A is a diterpene lactone.
Names & identifiers
- Preferred name
- Hovenidulcigenin A
- IUPAC
- [3-(7-hydroxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl)-1-(4-methyl-5-oxo-2H-furan-2-yl)butan-2-yl] acetate
Names & synonyms
Hovenidulcigenin ACHEBI:168836[3-(7-hydroxy-4b,8,8,10a-tetramethyl-2'-oxospiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl)-1-(4-methyl-5-oxo-2H-uran-2-yl)butan-2-yl] acetate
Database identifiers
- CAS
171499-81-3- PubChem CID
- 85155136
- ChEBI
CHEBI:168836
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,060
Experimental & physicochemical properties
Melting Point230 - 233 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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