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(-) -Vestitol

CAT: 0804-HY-N1093-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N1093-01Size:1 mg
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Description
(-) -Vestitol is a compound isolated from Glycyrrhiza pallidiflora (Leguminosae) [1].
CAS Number
35878-41-2
Product Name Alternative
(3R) -Vestitol
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/minus-vestitol.html
Purity
99.9
Solubility
10 mM in DMSO
Smiles
OC1=CC=C2C[C@H](C3=CC=C(OC)C=C3O)COC2=C1
Molecular Formula
C16H16O4
Molecular Weight
272.30
Precautions
H302, H315, H319, H335
References & Citations
[1]K.Kajiyama, et al. Flavonoids and isoflavonoids of chemotaxonomic significance from Glycyrrhiza pallidiflora (Leguminosae) .
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Vestitol, (-)-

(-)-vestitol is a methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4' and hydroxy groups at positions 7 and 2' respectively. It has a role as a plant metabolite. It is a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan.

CAS Number35878-41-2
PubChem CID182259
IUPAC Name(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Molecular FormulaC16H16O4
Molecular Weight272.29
XLogP2.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity322
SMILES
COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)O)OC2)O
InChI
InChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m0/s1
InChIKey
XRVFNNUXNVWYTI-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Vestitol, (-)-
CAS: 35878-41-2
CID: 182259
Formula: C16H16O4
MW: 272.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.29
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass272.10485899
Monoisotopic Mass272.10485899
Topological Polar Surface Area58.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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TN5228-01Vestitol
GTR19180478-01(+/-) -Vestitol
MBS5787393(+/-)-Vestitol
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