(3beta)-Lup-20(29)-ene-3,28-diol

Basic Information

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CAS Number

473-98-3

Molecular Formula

C30H50O2

Molecular Weight

442.73 g/mol

Chemical Classification

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

251.0 to 255.0 deg-C

Boiling Point

522.2°C at 760 mmHg

Solubility

Methanol; Petroleum ether

Refractive Index

1.5045 (estimate)

Specific Rotation

+17.0 to +21.0° (c=2, Pyridine)

SMILES

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O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@](CO)5CC[C@](C)4[C@@](C)3CC[C@]([H])2C1(C)C

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

InChIKey

FVWJYYTZTCVBKE-ROUWMTJPSA-N

LogP

6.997200000000009

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

786

Safety Information

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GHS Hazard Pictograms

H371

Hazard Statement

H371 May cause damage to organs
Specific target organ toxicity, single exposure

Storage Conditions

2-8℃

Synonyms & References

English

Betulin
Lup-20(29)-ene-3b,28-diol
(1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,1 1a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-...
(1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
BETULIN(AS)
BETULIN(P) - [Discontinued]
BETULIN(RG)
BETULIN(RG) PrintBack
BETULINIC ACID(SH)
Trochol
betula camphor
BETULINOL
BETULOL
Lup-20(29)-ene-3β,28-diol
Betulinic alcohol
20(29)-Lupene-3
[ "20(29)-Lupene-3", "28-diol" ]
Betuline
C30H50O2
6W70HN7X7O
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,
Betulinol
Betulol
Betulinol,Betulol,Trochol,Betulinic alcohol,Betuline

MDL Number

MFCD00016802

Customs Code

29181985

FAQ

What is (3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3)?

(3beta)-Lup-20(29)-ene-3,28-diol, with CAS number 473-98-3, is a naturally occurring triterpenoid compound. It has the chemical formula C28H52O3 and is characterized by its hydroxyl groups at positions 3 and 28, along with a double bond between carbons 20 and 29. This compound is known for its biological activities and is often found in plant-based sources, making it relevant in natural product chemistry and pharmacological research.

What are the main uses of (3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3)?

(3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3) is primarily used in pharmaceutical research for its potential anti-inflammatory and immunomodulatory properties. It also finds applications in the formulation of topical treatments and as a precursor in the synthesis of other bioactive compounds. Its natural occurrence in certain plants makes it a subject of interest in both traditional medicine and modern drug development.

Is (3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3) safe?

(3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3) is generally considered safe when used in accordance with standard safety protocols. However, as with many organic compounds, it is important to handle it with appropriate personal protective equipment (PPE) and follow safety guidelines to prevent skin or eye contact. Safety data sheets (SDS) should be consulted for detailed handling and exposure information.

How should (3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3) be stored?

(3beta)-Lup-20(29)-ene-3,28-diol (CAS: 473-98-3) should be stored in a cool, dry, and dark place to maintain its stability. It is recommended to keep it in a tightly sealed container away from moisture and light exposure. Storage conditions should be controlled at temperatures below 25°C and humidity levels below 60% to prevent degradation and ensure product integrity.