Lupeol Acetate

• CAS: 1617-68-1
• Catalog Number: ACM1617681
• Category: Steroidal Compounds
• Molecular Weight: 468.77
• Molecular Formula: C32H52O2
• Synonyms: 3-O-acetyl-lupeol; lup-20(29)-en-3-yl acetate; (3beta)-lup-20(29)-en-3-yl acetate; lupeol acetate; 3-acetoxy-28-deoxobetulin; 3-Acetyllupeol; Lupeyl acetate; LUPENYL ACETATE
• IUPAC Name: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-yl] acetate
• SMILES: CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C
• InChI: InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1
• InChI Key: ODSSDTBFHAYYMD-YOJQYFTNSA-N
• Boiling Point: 502.7ºC at 760mmHg
• Melting Point: 218ºC
• Flash Point: 254.7ºC
• Density: 1.01g/cm³
• Appearance: Powder
• Exact Mass: 468.39700

Custom Q&A

What is the molecular formula of Lupeol acetate?

The molecular formula of Lupeol acetate is C32H52O2.

What is the molecular weight of Lupeol acetate?

The molecular weight of Lupeol acetate is 468.8 g/mol.

What is the IUPAC Name of Lupeol acetate?

The IUPAC Name of Lupeol acetate is [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-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-yl] acetate.

What is the InChIKey of Lupeol acetate?

The InChIKey of Lupeol acetate is ODSSDTBFHAYYMD-YOJQYFTNSA-N.

What is the Canonical SMILES of Lupeol acetate?

The Canonical SMILES of Lupeol acetate is CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C.

What is the CAS Number of Lupeol acetate?

The CAS Number of Lupeol acetate is 1617-68-1.

How many hydrogen bond acceptors does Lupeol acetate have?

Lupeol acetate has 2 hydrogen bond acceptors.

What is the topological polar surface area of Lupeol acetate?

The topological polar surface area of Lupeol acetate is 26.3Ų.

What is the formal charge of Lupeol acetate?

The formal charge of Lupeol acetate is 0.

What is the complexity value of Lupeol acetate?

The complexity value of Lupeol acetate is 872.