Ursonic Acid

• Catalog Number: ACM6246464
• Product Name: Ursonic Acid
• CAS: 6246-46-4
• Category: Steroidal Compounds
• Synonyms: Ursomic acid; ursonic acid; ursonic acd; 3-oxo-ursolic acid; 3-Ketone
• IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,12aR,14bR)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• Molecular Weight: 454.7
• Molecular Formula: C30H46O3
• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O
• InChI: InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,24-,27+,28-,29-,30+/m1/s1
• InChI Key: MUCRYNWJQNHDJH-LWIALTINSA-N
• Appearance: Powder
• Exact Mass: 454.34500

Custom Q&A

What is the molecular formula of ursonic acid?

The molecular formula of ursonic acid is C30H46O3.

What is the molecular weight of ursonic acid?

The molecular weight of ursonic acid is 454.7 g/mol.

What is the IUPAC name of ursonic acid?

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

What is the InChI of ursonic acid?

The InChI of ursonic acid is InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1.

What is the canonical SMILES of ursonic acid?

The canonical SMILES of ursonic acid is CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C2C1C)C)C)C(=O)O.

What is the CAS number of ursonic acid?

The CAS number of ursonic acid is 6246-46-4.

What is the ChEMBL ID of ursonic acid?

The ChEMBL ID of ursonic acid is CHEMBL487887.

How many hydrogen bond donors are there in ursonic acid?

There is 1 hydrogen bond donor in ursonic acid.

How many hydrogen bond acceptors are there in ursonic acid?

There are 3 hydrogen bond acceptors in ursonic acid.