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Wilforgine - 10mM in DMSO, high purity , CAS No.37239-47-7
Calcium Channel Modulators
Basic Description
Synonyms
YI1TYV074E | Evonimine, 8-(acetyloxy)-O(sup 2)-deacetyl-8-deoxo-O(sup 2)-(3-furanylcarbonyl)-, (8-alpha)- | Wilforgine | DTXSID501019950 | [(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethy
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Wilforgine, one of the major bioactive sesquiterpene alkaloids in Tripterygium wilfordii Hook. F., induces microstructural and ultrastructural changes in the muscles of M. separata larvae, and the sites of action are proposed to be calcium receptors or ch
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Wilforgine Wilforgine, one of the major bioactive sesquiterpene alkaloids in Tripterygium wilfordii Hook. F., induces microstructural and ultrastructural changes in the muscles of M. separata larvae, and the sites of action are proposed to be calcium receptors or channels in the muscular system.
Targets
calcium receptors or channels
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Terpene lactones
Intermediate Tree Nodes
Not available
Direct Parent
Terpene lactones
Alternative Parents
Agarofurans Pyridinecarboxylic acids Furoic acid esters Furan-3-carboxylic acid esters Oxepanes Monosaccharides Tetrahydrofurans Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Cyclic alcohols and derivatives Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Terpene lactone - Agarofuran - Sesquiterpenoid - Furoic acid ester - Pyridine carboxylic acid - Furoic acid or derivatives - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Oxepane - Pyridine - Monosaccharide - Cyclic alcohol - Furan - Heteroaromatic compound - Tetrahydrofuran - Tertiary alcohol - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxide - Alcohol - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Product Properties
ALogP
0.609
hba_count
19
Rotatable Bond
14
Names and Identifiers
IUPAC Name
[(1S,3R,18S,19R,20R,21R,22S,23R,24R,25R)-20,22,23,25-tetraacetyloxy-21-(acetyloxymethyl)-26-hydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] furan-3-carboxylate
INCHI
InChI=1S/C41H47NO19/c1-19-11-12-27-26(10-9-14-42-27)37(50)54-17-38(7)28-29(55-21(3)44)33(57-23(5)46)40(18-53-20(2)43)34(58-24(6)47)30(59-36(49)25-13-15-52-16-25)32(60-35(19)48)39(8,51)41(40,61-38)31(28)56-22(4)45/h9-10,13-16,19,28-34,51H,11-12,17-18H2,1-8H3/t19?,28-,29-,30+,31-,32+,33-,34+,38+,39?,40-,41+/m1/s1
InChIKey
QFIYSPKZWOALMZ-YHQLYFKISA-N
Smiles
CC1CCC2=C(C=CC=N2)C(=O)OCC3(C4C(C(C5(C(C(C(C(C5(C4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
Isomeric SMILES
CC1CCC2=C(C=CC=N2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H](C([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC1=O)OC(=O)C6=COC=C6)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
Molecular Weight
857.81
Reaxy-Rn
8820973
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8820973&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
100
DMSO(mM) Max Solubility
116.575931733134
Water(mg / mL) Max Solubility
-1
Molecular Weight
857.800 g/mol
XLogP3
1.200
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
20
Rotatable Bond Count
14
Exact Mass
857.274 Da
Monoisotopic Mass
857.274 Da
Topological Polar Surface Area
266.000 Ų
Heavy Atom Count
61
Formal Charge
0
Complexity
1790.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
10
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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