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Lupeol chemical structure, C30H50O, CAS 545-47-1
2D chemical structure

Key facts

What buyers check first

Appearance
Needles from alcohol, acetone
Density
0.9457 g/cm³ at 218 °C
Solubility
Very soluble in ethanol, acetone, chloroform
HS code
290613
Category
Analgesics and anti-inflammatories
Illustrative photo, 25 kg white woven sacks of powder on a pallet in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Lupeol?

Plain description, key identifiers and synonyms

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 pentacyclic triterpenoid and a secondary alcohol. It derives from a hydride of a lupane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
CAS number
545-47-1 CAS number cross-checked
EC number
208-889-9
Molecular formula
C30H50O
UNII
O268W13H3O
MDL number
MFCD00017351
INCI name
LUPEOL
InChIKey
MQYXUWHLBZFQQO-QGTGJCAVSA-N
InChI
InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1
Canonical SMILES
C=C(C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C12
Isomeric SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C

Synonyms

  • Fagarasterol
  • Clerodol
  • Monogynol B
  • Fagarsterol
  • Lupenol
  • Triterpene lupeol
  • farganasterol
  • beta-Viscol
  • Lup-20(29)-en-3-ol, (3-beta)-
  • Lup-20(29)-en-3beta-ol
  • (3-beta)-Lup-20(29)-en-3-ol
  • Lup-20(29)-en-3-beta-ol
  • Lup-20(29)-en-3-ol, (3b)-
  • Lup-20(29)-en-3b-ol
  • Lup-20(29)-en-3-ol, (3beta)-
  • Clerodol, Fagarasterol, Lupenol, Monogynol B, NSC 90487, |A-Viscol
  • Lupeol (Standard)
  • (+)-Lupeol
  • Lupeol, >=94%
  • Lupeol, analytical standard
  • Lupeol, (+)-
  • 3beta-lup-20(29)-en-3-ol
  • (3beta)-lup-20(29)-en-3-ol
  • 3beta-hydroxylup-20(29)-ene
  • (3-.BETA.)-LUP-20(29)-EN-3-OL
Show all 26 synonyms
  • LUP-20(29)-EN-3-OL, (3-.BETA.)-

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Needles from alcohol, acetoneexp.
Density
0.9457 g/cm³ at 218 °Cexp.
Solubility
Very soluble in ethanol, acetone, chloroformexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
426.73 g/molcalc.
Exact mass
426.3862 Dacalc.
LogP (octanol/water)
8.02calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
31calc.
Rings
5calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.93calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

5 rings, 21 atoms.

271 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Lupeol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 37 suppliers
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Where suppliers are based

37 suppliers in 10 countries

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Lupeol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Experimental ... possesss antitumor-promoting effects.

Cosmetic ingredient, INCI name LUPEOL(skin conditioning)

Pharmacological actions

  • Anti-Inflammatory Agents

Roles

  • anti-inflammatory agent
  • anti-inflammatory drug
  • eukaryotic metabolite
  • metabolite
  • pharmaceutical
  • plant metabolite

Functional uses

  • Softener and conditioner

Cosmetic functions

  • Skin conditioning

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Lupeol is traded under.

HS 2906.13Indicative HS code

Sterols and inositols

World exports in 2024
$316M
−12.1% vs 2023, imports $291M
2019 to 2024
Top exporters
  1. China42.0%
  2. United States16.4%
  3. Netherlands9.6%
Top importers
  1. Ecuador * partner reported13.0%
  2. China13.0%
  3. United States9.4%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Lupeol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Lupeol, based on the data on this page

What is Lupeol?

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.

What is the CAS number of Lupeol?

The CAS registry number of Lupeol is 545-47-1.

What is the molecular formula and weight of Lupeol?

The molecular formula of Lupeol is C30H50O and its molar mass is 426.73 g/mol.

What is Lupeol used for?

Experimental ... possesss antitumor-promoting effects.

Is Lupeol hazardous?

Lupeol carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Lupeol?

Lupeol is usually classified under HS code 290613 (Sterols and inositols). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lupeol?

CompoundList lists 37 suppliers of Lupeol in China, United States, Germany, United Kingdom and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Lupeol in India?

2 suppliers in India list Lupeol on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Lupeol?

Suppliers quote Lupeol on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Lupeol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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