Olean-12-en-28-oic acid,3-[(O-â-D-xylopyranosyl-(1f3)-O-â- D-xylopyranosyl-(1f3)-O-6-deoxy-R-Lmannopyranosyl-( 1f3)-â-D-xylopyranosyl)- oxy]-,6-O-â-D-glucopyranosyl-â-Dglucopyranosyl ester,(3â)- structure

3D Mol Similar

Olean-12-en-28-oic acid,3-[(O-â-D-xylopyranosyl-(1f3)-O-â- D-xylopyranosyl-(1f3)-O-6-deoxy-R-Lmannopyranosyl-( 1f3)-â-D-xylopyranosyl)- oxy]-,6-O-â-D-glucopyranosyl-â-Dglucopyranosyl ester,(3â)-

Iupac Name：7-nitro-1H-indole

CAS No.：6960-42-5

Molecular Weight：162.148

Request For Quotation

1. Names and Identifiers

1.1 Name: Olean-12-en-28-oic acid,3-[(O-â-D-xylopyranosyl-(1f3)-O-â- D-xylopyranosyl-(1f3)-O-6-deoxy-R-Lmannopyranosyl-( 1f3)-â-D-xylopyranosyl)- oxy]-,6-O-â-D-glucopyranosyl-â-Dglucopyranosyl ester,(3â)-

2. Properties

3.1 Melting point: 95-98℃

3.1 Refractive index: 1.723

3.1 Precise Quality: 162.04300

3.1 PSA: 61.61000

3.1 logP: 2.59930

3. Safety and Handling

4.1 Risk Statements: R68

4.1 Safety Statements: S36/37;S45

4.1 WGK Germany: 3

4.1 RTECS: NM1169000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H341 Suspected of causing genetic defects
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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5. Computational chemical data

Molecular Weight：162.148g/mol
Molecular Formula：C_₂₁H_₂₈N_₂O_₃
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：162.042927438
Monoisotopic Mass：162.042927438
Complexity：190
Rotatable Bond Count：0
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：61.6
Heavy Atom Count：12
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

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