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1025881-27-9 molecular structure
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(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl (1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

ChemBase ID: 169569
Molecular Formular: C27H33NO6
Molecular Mass: 467.55402
Monoisotopic Mass: 467.23078778
SMILES and InChIs

SMILES:
c12c3CN(CC[C@@]41C=C[C@@H](C[C@@H]4Oc2c(cc3)OC)OC(=O)[C@]12OC(=O)[C@](C1(C)C)(C)CC2)C
Canonical SMILES:
COc1ccc2c3c1O[C@@H]1[C@@]3(CCN(C2)C)C=C[C@@H](C1)OC(=O)[C@]12CC[C@](C2(C)C)(C(=O)O1)C
InChI:
InChI=1S/C27H33NO6/c1-24(2)25(3)10-11-27(24,34-22(25)29)23(30)32-17-8-9-26-12-13-28(4)15-16-6-7-18(31-5)21(20(16)26)33-19(26)14-17/h6-9,17,19H,10-15H2,1-5H3/t17-,19-,25-,26-,27-/m0/s1
InChIKey:
NEOVZHCREOELKA-CWRZIHCYSA-N

Cite this record

CBID:169569 http://www.chembase.cn/molecule-169569.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl (1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
IUPAC Traditional name
(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl (1R,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
Synonyms
(-)-Galanthaminyl (-)-Camphanate
CAS Number
1025881-27-9
PubChem SID
162263701
PubChem CID
71317036

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC G188561 external link Add to cart
PubChem 71317036 external link
Data Source Data ID Price
TRC
G188561 external link Add to cart Please log in.
Data Source Data ID
PubChem 71317036 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.40380305  LogD (pH = 7.4) 2.0376253 
Log P 3.5559728  Molar Refractivity 125.73 cm3
Polarizability 49.540085 Å3 Polar Surface Area 74.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Apperance
White Crystalline Solid expand Show data source
Melting Point
163-165°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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