Home > Compound List > Compound details
6018-40-2 molecular structure
click picture or here to close

(12bS)-3,4,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-10-ol

ChemBase ID: 305439
Molecular Formular: C20H23NO4
Molecular Mass: 341.40092
Monoisotopic Mass: 341.16270822
SMILES and InChIs

SMILES:
c1(c(cc2c(c1)CCN1[C@H]2Cc2c(C1)c(c(cc2)OC)OC)OC)O
Canonical SMILES:
COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc(c(c3)O)OC
InChI:
InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1
InChIKey:
BMCZTYDZHNTKPR-INIZCTEOSA-N

Cite this record

CBID:305439 http://www.chembase.cn/molecule-305439.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(12bS)-3,4,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-10-ol
IUPAC Traditional name
(12bS)-3,4,11-trimethoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-10-ol
Synonyms
Corypalmine
CAS Number
6018-40-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01931
Data Source Data ID Price
BioBioPha
BBP01931 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.976025  H Acceptors
H Donor LogD (pH = 5.5) 2.688598 
LogD (pH = 7.4) 2.9951837  Log P 3.0020807 
Molar Refractivity 96.8732 cm3 Polarizability 37.19282 Å3
Polar Surface Area 51.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Apperance
Yellow powder expand Show data source
Purity
98.5 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