A triterpene with a pentacyclic ring structure.It can be used in the preparation of betulinic acid，which shows anti-HIV, antimalarial and anti-inflammatory activities.

Specifications

Sinónimos

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Betulin is a triterpene with a pentacyclic ring structure and hydroxyl groups in positions C3 and C28. Studies indicate that Betulin can effect intracellular signaling in ethanol-induced liver cells via inhibiting ROS, TNFα and TNFβ. In human cancer cells

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid	504754652
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754652
Sonrisas canónicas	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO
IUPAC Name	(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-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
InChIKey	FVWJYYTZTCVBKE-ROUWMTJPSA-N
INCHI	1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
Isómeros 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)CO
WGK Alemania	3
RTECS	OK5755000
Peso molecular	442.72
Beilstein	6(3)5234
Reaxy-Rn	2064505
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2064505&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Clase Prenol lipids
    - Subclass Triterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Clase	Prenol lipids
Subclass	Triterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Triterpenoids
Alternative Parents	18-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Triterpenoid - 18-hydroxysteroid - Hydroxysteroid - Steroid - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic homopolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors	Lupane triterpenoids
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TOP2A Tclin DNA topoisomerase II alpha (6317 Activities)

Discover Target: TOP2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AMY2A Tclin Pancreatic alpha-amylase (74 Activities)

Discover Target: AMY2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PRKCE Tchem Protein kinase C epsilon (1520 Activities)

Discover Target: PRKCE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A-375 (9258 Activities)

Lot Number	Certificate Type	Fecha	Articulo
J1815138	Certificate of Analysis	May 20, 2026	B129170
E2223013	Certificate of Analysis	Mar 11, 2026	B129170
E2223015	Certificate of Analysis	Mar 11, 2026	B129170
E2223016	Certificate of Analysis	Mar 11, 2026	B129170
K1925126	Certificate of Analysis	Sep 08, 2023	B129170
F2517011	Certificate of Analysis	Mar 01, 2022	B129170

Rotación específica [α]	19° (C=2,Pyridine)
Punto de fusión (°C)	256-257°C
Peso molecular	442.700 g/mol
XLogP3	8.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	442.381 Da
Monoisotopic Mass	442.381 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	786.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Betulin - ≥98% , CAS No.473-98-3

Why this grade

Storage & shipping

Quality documents

Literature proof

Descripción general

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

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