Vitexilactone

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1598
CAS
61263-49-8
Product Name
Vitexilactone
Structure

Product Details

Description
Vitexilactone isolated from the seeds of Vitex trifolia L.
Synonyms
4-[2-[(1R,4aα)-Decahydro-4β-acetoxy-1α-hydroxy-2α,5,5,8aβ-tetramethylnaphthalen-1-yl]ethyl]furan-2(5H)-one;4-[2-[(4aα)-4β-Acetoxy-1-hydroxy-2α,5,5,8aβ-tetramethyldecalin-1β-yl]ethyl]-2(5H)-furanone; [(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-
IUPAC Name
[(1R,3R,4R,4aS,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate
Molecular Weight
378.5
Molecular Formula
C22H34O5
Canonical SMILES
CC1CC(C2C(CCCC2(C1(CCC3=CC(=O)OC3)O)C)(C)C)OC(=O)C
InChI
1S/C22H34O5/c1-14-11-17(27-15(2)23)19-20(3,4)8-6-9-21(19,5)22(14,25)10-7-16-12-18(24)26-13-16/h12,14,17,19,25H,6-11,13H2,1-5H3/t14-,17-,19+,21+,22-/m1/s1
InChIKey
FBWWXAGANVJTLU-HEXLTJKYSA-N
Boiling Point
501.5±40.0 °C(Predicted)
Melting Point
148~149 °C
Flash Point
166.6±20.8 °C
Purity
0.97
Density
1.13±0.1 g/cm3(Predicted)
Appearance
Powder
Application
antifungal; antibacterial;
Definition
ChEBI: A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L. and Vitex agnus-castus
Form
Powder
Packaging
1 mg
pKa
14.51±0.70(Predicted)
Refractive Index
1.529
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