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Vinigrol

CAT: 0013-GTR19209238-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209238-01Size:25 mg
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Description
Vinigrol is a fungal secondary metabolite isolated from Virgaria nigra. It exhibits dual antihypertensive and antiplatelet activities, making it a compound of interest for cardiovascular research in both biochemical and pharmacological studies.
CAS Number
111025-83-3
Smiles
O[C@]12[C@]3 ([C@] ([C@H] (C) CC[C@H] (C (C) C) [C@@]1 (C=C (CO) [C@H]3O) [H]) (CC[C@H]2C) [H]) [H]
Molecular Formula
C20H34O3
Molecular Weight
322.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vinigrol

Vinigrol has been reported in Virgaria nigra with data available.

CAS Number111025-83-3
PubChem CID197229
IUPAC Name(1S,2R,5R,6S,9S,10R,13S,14S)-12-(hydroxymethyl)-2,9-dimethyl-6-propan-2-yltricyclo[8.4.0.05,14]tetradec-11-ene-1,13-diol
Molecular FormulaC20H34O3
Molecular Weight322.5
XLogP3.7
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
C[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@]3([C@H]1C=C([C@H]([C@H]23)O)CO)O)C)C(C)C
InChI
InChI=1S/C20H34O3/c1-11(2)15-7-5-12(3)17-9-14(10-21)19(22)18-16(15)8-6-13(4)20(17,18)23/h9,11-13,15-19,21-23H,5-8,10H2,1-4H3/t12-,13+,15-,16+,17-,18-,19+,20-/m0/s1
InChIKey
UADXIAKXDDMQEN-PEOWTYOISA-N
Chemical Structure
2D Structure
2D structure of Vinigrol
CAS: 111025-83-3
CID: 197229
Formula: C20H34O3
MW: 322.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass322.25079494
Monoisotopic Mass322.25079494
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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