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(-) -Asarinin

CAT: 0926-AAA13305-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA13305-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133-05-1
MDL Number
MFCD00198067
Smiles
C1C2C (COC2C3=CC4=C (C=C3) OCO4) C (O1) C5=CC6=C (C=C5) OCO6
Molecular Formula
C20H18O6
Molecular Weight
354.4 g/mol
Controlled
No

Chemical Information

Asarinin

asarinin has been reported in Aristolochia galeata, Lindera praecox, and other organisms with data available.

CAS Number133-05-1
PubChem CID101612
IUPAC Name5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular FormulaC20H18O6
Molecular Weight354.4
XLogP2.7
Topological Polar Surface Area55.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity482
SMILES
C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@@H](O1)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1
InChIKey
PEYUIKBAABKQKQ-WZBLMQSHSA-N
Chemical Structure
2D Structure
2D structure of Asarinin
CAS: 133-05-1
CID: 101612
Formula: C20H18O6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass354.11033829
Monoisotopic Mass354.11033829
Topological Polar Surface Area55.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity482
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

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CatalogName
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