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31008-18-1 molecular structure
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(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan

ChemBase ID: 304449
Molecular Formular: C23H28O7
Molecular Mass: 416.46422
Monoisotopic Mass: 416.18350324
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(c(cc1)OC)OC)OC)OC)OC
Canonical SMILES:
COc1cc(ccc1OC)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(c(c1)OC)OC
InChI:
InChI=1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
InChIKey:
MFIHSKBTNZNJIK-RZTYQLBFSA-N

Cite this record

CBID:304449 http://www.chembase.cn/molecule-304449.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
IUPAC Traditional name
(1S,3aR,4S,6aR)-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan
Synonyms
Medioresinol dimethyl ether
Magnolin
CAS Number
31008-18-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00637
Data Source Data ID Price
BioBioPha
BBP00637 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4118764  LogD (pH = 7.4) 2.4118764 
Log P 2.4118764  Molar Refractivity 110.528 cm3
Polarizability 43.510082 Å3 Polar Surface Area 64.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Oil expand Show data source
Purity
97.0 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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