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Angeloylisogomisin O

CAT: 0013-GTR19202011Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202011Size:25 mg
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Description
Angeloylisogomisin O is a dibenzocyclooctadiene lignan obtained from Schisandra propinqua var. propinqua. This natural product is utilized in pharmacological research, particularly in studies investigating its bioactive properties through in vitro assays.
CAS Number
83864-70-4
Smiles
C/C=C (C) \C (O[C@@H]1[C@@H] (C) [C@@H] (C) CC2=CC (OC) =C (OC) C (OC) =C2C3=C1C=C4OCOC4=C3OC) =O
Molecular Formula
C28H34O8
Molecular Weight
498.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Angeloylisogomisin O

angeloylisogomisin o has been reported in Schisandra lancifolia with data available.

CAS Number83864-70-4
PubChem CID91864463
IUPAC Name[(9S,10S,11R)-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-11-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC28H34O8
Molecular Weight498.6
XLogP5.8
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity786
SMILES
C/C=C(/C)\C(=O)O[C@@H]1[C@H]([C@H](CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)OC)OC)OC)C)C
InChI
InChI=1S/C28H34O8/c1-9-14(2)28(29)36-23-16(4)15(3)10-17-11-19(30-5)24(31-6)26(32-7)21(17)22-18(23)12-20-25(27(22)33-8)35-13-34-20/h9,11-12,15-16,23H,10,13H2,1-8H3/b14-9-/t15-,16-,23+/m0/s1
InChIKey
PZUDCPSZWPLXKT-XXDSNBTQSA-N
Chemical Structure
2D Structure
2D structure of Angeloylisogomisin O
CAS: 83864-70-4
CID: 91864463
Formula: C28H34O8
MW: 498.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.6
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass498.22536804
Monoisotopic Mass498.22536804
Topological Polar Surface Area81.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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