3-Epiursolic Acid

• CAS: 989-30-0
• Catalog Number: ACM989300
• Category: Other Products
• Molecular Weight: 456.7
• Molecular Formula: C30H48O3
• Synonyms: (3α)-3-Hydroxy-urs-12-en-28-oic acid
• IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
• Canonical SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
• InChI: InChI=1S/C30H48O3/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/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1
• InChI Key: WCGUUGGRBIKTOS-XHINXETDSA-N
• Boiling Point: 556.9±50.0 °C
• Melting Point: 290-291 °C
• Density: 1.09±0.1 g/ml
• Appearance: Solid
• pKa: 4.68±0.70

Custom Q&A

What is the PubChem CID of 3-Epiursolic acid?

The PubChem CID of 3-Epiursolic acid is 7163177.

What is the molecular formula of 3-Epiursolic acid?

The molecular formula of 3-Epiursolic acid is C30H48O3.

What are some synonyms of 3-Epiursolic acid?

Some synonyms of 3-Epiursolic acid are 3-epi-ursolic acid, 989-30-0, and CHEMBL491715.

What is the molecular weight of 3-Epiursolic acid?

The molecular weight of 3-Epiursolic acid is 456.7 g/mol.

When was 3-Epiursolic acid created?

3-Epiursolic acid was created on July 29, 2006.

What are the natural sources of 3-Epiursolic acid?

3-Epiursolic acid is found in Pavetta indica, Conandron ramondioides, and other organisms.

What is the IUPAC name of 3-Epiursolic acid?

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

What is the InChIKey of 3-Epiursolic acid?

The InChIKey of 3-Epiursolic acid is WCGUUGGRBIKTOS-XHINXETDSA-N.

What is the canonical SMILES of 3-Epiursolic acid?

The canonical SMILES of 3-Epiursolic acid is CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O.

What is the XLogP3-AA value of 3-Epiursolic acid?

The XLogP3-AA value of 3-Epiursolic acid is 7.3.