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(-) -Asarinin

CAT: 1299-RG-A260532-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260532-02Size:25 mg
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CAS Number
133-04-0
Synonyms
(-) -Asarinin; (1R,3aR,4S,6aR) -1,4-bis (benzo[d][1,3]dioxol-5-yl) tetrahydro-1H,3H-furo[3,4-c]furan
Molecular Formula
C20H18O6
Molecular Weight
354.35
Product Name Synonym
(-) -Asarinin; (1R,3aR,4S,6aR) -1,4-bis (benzo[d][1,3]dioxol-5-yl) tetrahydro-1H,3H-furo[3,4-c]furan

Chemical Information

Asarinin

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

CAS Number133-04-0
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: 133-04-0
CID: 101612
Formula: C20H18O6
MW: 354.4
Interactive 3D Structure
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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

Alternative Products

CatalogName
HY-N0701-01(-) -Asarinin
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T82539-01DL-Asarinin
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