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Epistephamiersine

CAT: 0804-HY-N3836Size: 1 EachDry Ice: NoHazardous: No
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Description
Epistephamiersine is a Alkaloids product that can be isolated from the roots of Stephania japonica[1].
CAS Number
52389-15-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/epistephamiersine.html
Smiles
CO[C@]12[C@@]34[C@](CC([C@@H]2OC)=O)(CCN4C)C5=C(OC)C(OC)=CC=C5[C@](O1)([H])C3
Molecular Formula
C21H27NO6
Molecular Weight
389.44
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Epistephamiersine

(1S,8S,10S,11R,12S)-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.1⁸,¹¹.0¹,¹⁰.0²,⁷]octadeca-2,4,6-trien-13-one has been reported in Stephania japonica with data available.

CAS Number52389-15-8
PubChem CID91895297
IUPAC Name(1S,8S,10S,11R,12S)-3,4,11,12-tetramethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-one
Molecular FormulaC21H27NO6
Molecular Weight389.4
XLogP0.8
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity673
SMILES
CN1CC[C@@]23[C@]14C[C@@H](C5=C2C(=C(C=C5)OC)OC)O[C@]4([C@H](C(=O)C3)OC)OC
InChI
InChI=1S/C21H27NO6/c1-22-9-8-19-10-13(23)18(26-4)21(27-5)20(19,22)11-15(28-21)12-6-7-14(24-2)17(25-3)16(12)19/h6-7,15,18H,8-11H2,1-5H3/t15-,18-,19-,20-,21-/m0/s1
InChIKey
UTTZNWQGZHNUIG-JMMIECQRSA-N
Chemical Structure
2D Structure
2D structure of Epistephamiersine
CAS: 52389-15-8
CID: 91895297
Formula: C21H27NO6
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass389.18383758
Monoisotopic Mass389.18383758
Topological Polar Surface Area66.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity673
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
380222Epistephamiersine

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