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O-Methylpallidine

CAT: 0804-HY-N3137Size: 1 EachDry Ice: NoHazardous: No
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Description
O-Methylpallidine (Fissistigine C) is a Alkaloids product that can be isolated from the root barks of Melodinus yunnanensis[1].
CAS Number
27510-33-4
Product Name Alternative
Fissistigine C; O-Methyl- (+) -flavinantine
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/o-methylpallidine.html
Smiles
COC1=C[C@@]23C4=CC(OC)=C(OC)C=C4C[C@@](N(CC3)C)([H])C2=CC1=O
Molecular Formula
C20H23NO4
Molecular Weight
341.40
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

O-Methylpallidine

(1S,9S)-4,5,13-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,10,13-pentaen-12-one has been reported in Lindera glauca, Nandina domestica, and other organisms with data available.

CAS Number27510-33-4
PubChem CID10405046
IUPAC Name(1S,9S)-4,5,13-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one
Molecular FormulaC20H23NO4
Molecular Weight341.4
XLogP2.3
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity627
SMILES
CN1CC[C@@]23C=C(C(=O)C=C2[C@@H]1CC4=CC(=C(C=C34)OC)OC)OC
InChI
InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m0/s1
InChIKey
DBPGJIUVRZHFCM-YWZLYKJASA-N
Chemical Structure
2D Structure
2D structure of O-Methylpallidine
CAS: 27510-33-4
CID: 10405046
Formula: C20H23NO4
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass341.16270821
Monoisotopic Mass341.16270821
Topological Polar Surface Area48 Ų
Heavy Atom Count25
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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