Home > Compound List > Compound details
149250-48-6 molecular structure
click picture or here to close

4-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol

ChemBase ID: 305467
Molecular Formular: C23H28O8
Molecular Mass: 432.46362
Monoisotopic Mass: 432.17841786
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(c(c(c1)OC)O)OC)OC)OC)OC
Canonical SMILES:
COc1cc(cc(c1OC)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)O
InChI:
InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m0/s1
InChIKey:
AJMQKDTUOKAQNT-ZYNNUQKQSA-N

Cite this record

CBID:305467 http://www.chembase.cn/molecule-305467.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
IUPAC Traditional name
4-[(1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
Synonyms
De-4'-O-methylyangambin
CAS Number
149250-48-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01963
Data Source Data ID Price
BioBioPha
BBP01963 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.302999  H Acceptors
H Donor LogD (pH = 5.5) 2.1082432 
LogD (pH = 7.4) 2.1029544  Log P 2.1083112 
Molar Refractivity 112.5089 cm3 Polarizability 44.14705 Å3
Polar Surface Area 84.84 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle