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Betulin

Catalog Number

ACM473983

CAS

473-98-3

Structure

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

Synonyms

Betula camphor

Molecular Weight

442.72

Molecular Formula

C30H50O2

Canonical SMILES

CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO

InChI

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

InChI Key

FVWJYYTZTCVBKE-ROUWMTJPSA-N

Boiling Point

493.26 °C

Melting Point

256-257 °C(lit.)

Flash Point

210.9ºC

Purity

95%

Density

0.9882 g/cm³

Appearance

Solid

Storage

2-8 °C

Active Content

95%

Physical State

Solid

Typical Applications

Use as anti-inflammatoryagent.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What is the PubChem CID of betulin?

The PubChem CID of betulin is 72326.

What is the molecular formula of betulin?

The molecular formula of betulin is C30H50O2.

What are some synonyms of betulin?

Some synonyms of betulin are Betulinol, Betuline, and Trochol.

What is the molecular weight of betulin?

The molecular weight of betulin is 442.7 g/mol.

When was betulin first created?

Betulin was first created on March 26, 2005.

What is the chemical structure of betulin?

The chemical structure of betulin is a pentacyclic triterpenoid which is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.

What is the IUPAC name of betulin?

The IUPAC name of betulin is (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.

What is the Canonical SMILES of betulin?

The Canonical SMILES of betulin is CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO.

What is the CAS number of betulin?

The CAS number of betulin is 473-98-3.

What is the XLogP3-AA value of betulin?

The XLogP3-AA value of betulin is 8.3.

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