α-amyrin acetate

α-amyrin acetate
Compound Structure:
Synonyms: alpha-Amyrin acetate ;Amyrin acetate; 863-76-3; Urs-12-en-3.beta.-ol, acetate ;Urs-12-en-3-ol,3-acetate, (3b)-
Compound ID: NMPC-1613
PubChem ID:

293754
Molecular Formula: C32H52O2
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C
InChIKey: UDXDFWBZZQHDRO-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

468.8 g/mol

XLogP3-AA

9.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

468.396730897 g/mol

Monoisotopic Mass

468.396730897 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

34

Formal Charge

0

Complexity

885

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

10

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

225 - 226 °C

Source:PubChem
Source Species: Glossonema boveanum
Download SDF