Acetyl oleanolic acid

• Catalog Number: ACM4339724
• Product Name: Acetyl oleanolic acid
• CAS: 4339-72-4
• Category: Steroidal Compounds
• IUPAC Name: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylicacid
• Molecular Weight: 498.8
• Molecular Formula: C₃₂H₅₀O₄
• Canonical SMILES: CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C
• InChI Key: RIXNFYQZWDGQAE-DFHVBEEKSA-N
• Melting Point: 265-268 ℃
• Exact Mass: 498.37100

Custom Q&A

What is the molecular formula of acetyl oleanolic acid?

The molecular formula of acetyl oleanolic acid is C32H50O4.

What is the molecular weight of acetyl oleanolic acid?

The molecular weight of acetyl oleanolic acid is 498.7 g/mol.

What are the synonyms of acetyl oleanolic acid?

The synonyms of acetyl oleanolic acid are 3-O-Acetyloleanolic acid, Oleanolic acid 3-acetate, and Acetyl oleanolic acid 3-O-Acetyloleanolic acid.

What is the IUPAC name of acetyl oleanolic acid?

The IUPAC name of acetyl oleanolic acid is (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.

What is the InChI code of acetyl oleanolic acid?

The InChI code of acetyl oleanolic acid is InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1.

What is the Canonical SMILES of acetyl oleanolic acid?

The Canonical SMILES of acetyl oleanolic acid is CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)C)C.

How many hydrogen bond donor counts does acetyl oleanolic acid have?

Acetyl oleanolic acid has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does acetyl oleanolic acid have?

Acetyl oleanolic acid has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of acetyl oleanolic acid?

The topological polar surface area of acetyl oleanolic acid is 63.6Ų.

How many heavy atoms are present in acetyl oleanolic acid?

Acetyl oleanolic acid contains 36 heavy atoms.