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Ananolignan L

CAT: 0804-HY-N13549Size: 1 EachDry Ice: NoHazardous: No
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Description
Ananolignan L is a natural product[1].
CAS Number
1280213-70-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ananolignan-l.html
Smiles
O=C(/C(C)=C/C)OC1C2=C(C3=C(C4=C(C=C3C(C(C1C)C)OC(C)=O)OCO4)OC)C(OC)=C(OC)C(OC)=C2
Molecular Formula
C30H36O10
Molecular Weight
556.60
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Ananolignan L

Ananolignan L is a lignan, an aromatic ether, an oxacycle, an organic heterotetracyclic compound, an acetate ester and an enoate ester. It has a role as a neuroprotective agent and a plant metabolite. It is functionally related to a tiglic acid.

CAS Number1280213-70-8
PubChem CID53262699
IUPAC Name[(8R,9S,10R,11R)-11-acetyloxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (E)-2-methylbut-2-enoate
Molecular FormulaC30H36O10
Molecular Weight556.6
XLogP5.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity922
SMILES
C/C=C(\C)/C(=O)O[C@@H]1[C@H]([C@H]([C@H](C2=CC3=C(C(=C2C4=C(C(=C(C=C14)OC)OC)OC)OC)OCO3)OC(=O)C)C)C
InChI
InChI=1S/C30H36O10/c1-10-14(2)30(32)40-25-16(4)15(3)24(39-17(5)31)19-12-21-27(38-13-37-21)29(36-9)23(19)22-18(25)11-20(33-6)26(34-7)28(22)35-8/h10-12,15-16,24-25H,13H2,1-9H3/b14-10+/t15-,16+,24-,25-/m1/s1
InChIKey
HIGLJZHMTBHEQS-ULEIZWEFSA-N
Chemical Structure
2D Structure
2D structure of Ananolignan L
CAS: 1280213-70-8
CID: 53262699
Formula: C30H36O10
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass556.23084734
Monoisotopic Mass556.23084734
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity922
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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