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Sesartemin

CAT: 0804-HY-N1297Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N1297Size:1 Each
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Description
Sesartemin (NSC380470) is a Xanthones product that can be isolated from the stem barks of Calophyllum inophyllum.[1].
CAS Number
77394-27-5
Product Name Alternative
NSC380470
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/sesartemin.html
Smiles
COC1=C(OC)C(OC)=CC([C@H]2OC[C@]3([H])[C@@H](C4=CC(OC)=C5OCOC5=C4)OC[C@@]32[H])=C1
Molecular Formula
C23H26O8
Molecular Weight
430.45
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Sesartemin

Sesartemin is a lignan.

CAS Number77394-27-5
PubChem CID342737
IUPAC Name6-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
Molecular FormulaC23H26O8
Molecular Weight430.4
XLogP2.7
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity590
SMILES
COC1=CC(=CC2=C1OCO2)[C@@H]3[C@H]4CO[C@@H]([C@H]4CO3)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
InChIKey
DHWUVPPRBIJJKS-VUEDXXQZSA-N
Chemical Structure
2D Structure
2D structure of Sesartemin
CAS: 77394-27-5
CID: 342737
Formula: C23H26O8
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass430.16276778
Monoisotopic Mass430.16276778
Topological Polar Surface Area73.8 Ų
Heavy Atom Count31
Formal Charge0
Complexity590
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19180596Sesartemin

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