Erybraedin D
Basic information
- CAS
119269-72-6- Standard SMILES
CC(C)=CCc1c(O)ccc2c1OCC1c3cc4c(cc3OC21)OC(C)(C)C=C4- InChIKey
ZWEQONVPSDWALR-UHFFFAOYSA-N- Molecular formula
- C25H26O4
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.18310931
Overview
Erybraedin D has been reported in Erythrina sigmoidea with data available.
Names & identifiers
- Preferred name
- Erybraedin D
- IUPAC
- 7,7-dimethyl-18-(3-methylbut-2-enyl)-8,12,20-trioxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-2(11),3,5,9,14(19),15,17-heptaen-17-ol
Names & synonyms
Erybraedin D119269-72-66H,10H-Furo(3,2-c:4,5-g')bis(1)benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-4-(3-methyl-2-butenyl)-6H,10H-Furo[3,2-c:4,5-g']bis[1]benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-4-(3-methyl-2-butenyl)-DTXSID60922911LMPK120700263-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan(6aR,11aR)-3-Hydroxy-4-prenyl-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan10,10-Dimethyl-4-(3-methylbut-2-en-1-yl)-6a,13a-dihydro-6H,10H-pyrano[3',2':5,6][1]benzofuro[3,2-c][1]benzopyran-3-ol
Database identifiers
- CAS
119269-72-6- PubChem CID
- 471689
- DTXSID
DTXSID60922911- Nikkaji
- J691.584A
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 678
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Pterocarpans [PK1207]
SpringerMaterials PropertiesChemical shift
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Compound notes
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