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32383-76-9 molecular structure
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(1R,10R)-14-methoxy-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol

ChemBase ID: 304367
Molecular Formular: C16H14O4
Molecular Mass: 270.27996
Monoisotopic Mass: 270.08920893
SMILES and InChIs

SMILES:
c1(ccc2c(c1)OC[C@@H]1[C@H]2Oc2c1ccc(c2)OC)O
Canonical SMILES:
COc1ccc2c(c1)O[C@@H]1[C@H]2COc2c1ccc(c2)O
InChI:
InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m0/s1
InChIKey:
NSRJSISNDPOJOP-BBRMVZONSA-N

Cite this record

CBID:304367 http://www.chembase.cn/molecule-304367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,10R)-14-methoxy-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol
IUPAC Traditional name
(1R,10R)-14-methoxy-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol
Synonyms
3-Hydroxy-9-methoxypterocarpan
Medicarpin
CAS Number
32383-76-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00529
Data Source Data ID Price
BioBioPha
BBP00529 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.420754  H Acceptors
H Donor LogD (pH = 5.5) 2.5091715 
LogD (pH = 7.4) 2.5051281  Log P 2.5092235 
Molar Refractivity 73.0611 cm3 Polarizability 28.381752 Å3
Polar Surface Area 47.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Powder expand Show data source
Purity
99.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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