545-47-1
Product Name:
Lupeol
Formula:
C30H50O
Synonyms:
20(29)-Lupen-3β-ol;3β-Hydroxy-20(29)-lupene;Clerodol;Fagarasterol;Lupenol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Needles from alcohol, acetone |
|---|---|
| Solubility | Very soluble in ethanol, acetone, chloroform |
| Density | 0.9457 g/cu cm at 218 °C |
| Optical Rotation | Needles from acetone, mp 29 °C. Specific optical rotation: +47.3 deg at 20 °C/D ) c = 2 in chloroform) /Acetate/ |
| Corrosivity | 426.72 |
| Refractive Index | Index of refraction = 1.4910 at 218 °C/D |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 426.7 g/mol |
|---|---|
| XLogP3 | 9.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 426.386166214 g/mol |
| Monoisotopic Mass | 426.386166214 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 766 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 10 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Lupeol is a pentacyclic triterpenoid that is lupane in which the hydrogen at the 3beta position is substituted by a hydroxy group. It occurs in the skin of lupin seeds, as well as in the latex of fig trees and of rubber plants. It is also found in many edible fruits and vegetables. It has a role as an anti-inflammatory drug and a plant metabolite. It is a secondary alcohol and a pentacyclic triterpenoid. It derives from a hydride of a lupane.