8-Amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Basic information
- CAS
3650-11-1- Standard SMILES
CC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(OC3=O)C2N- InChIKey
NFXKGLBUURRKEA-UHFFFAOYSA-N- Molecular formula
- C20H27NO4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.19400834
Overview
Rosmaricine is a diterpene lactone.
Names & identifiers
- Preferred name
- 8-Amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
- IUPAC
- 8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Names & synonyms
8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-oneNSC320539SCHEMBL29385649CHEBI:174658NSC-320539
Database identifiers
- CAS
3650-11-1- PubChem CID
- 330877
- ChEBI
CHEBI:174658
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 576
Experimental & physicochemical properties
Melting Point199 - 200 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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