Trihydroxycoprostane

• CAS: 547-96-6
• Catalog Number: ACM547966
• Category: Steroidal Compounds
• Molecular Weight: 420.67
• Molecular Formula: C27H48O3
• Synonyms: (3alpha,5beta,7alpha,12alpha)-Cholestane-3,7,12-triol; 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol; 5beta-cholestan-3alpha,7alpha,12alpha-triol; 5beta-Cholestane-3alpha,7alpha,12alpha-triol; (3|A,5|A,7|A,12|A)-cholestane-3,7,12-triol; 3alpha,7alpha,12alpha-Trihydroxycoprostane; Trihydroxycoprostane; 5beta-cholestane-3alpha,7alpha,12alpha-triol
• IUPAC Name: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
• SMILES: CC(C)CCCC(C)C1CCC2[C@@H]3C(O)C[C@@H]4CC(O)CC[C@H]4(C)C3CC(O)[C@H]12C
• InChI Key: RIVQQZVHIVNQFH-XJZYBRFWSA-N
• Boiling Point: 535.5ºC at 760 mmHg
• Melting Point: 180-181°C (lit.)
• Flash Point: 222.8ºC
• Density: 1.051g/cm³
• Exact Mass: 420.36000
• H-Bond Acceptor: 3
• H-Bond Donor: 3

Custom Q&A

What is the PubChem CID of Trihydroxycoprostane?

The PubChem CID of Trihydroxycoprostane is 160520.

What is the molecular formula of Trihydroxycoprostane?

The molecular formula of Trihydroxycoprostane is C27H48O3.

What is the molecular weight of Trihydroxycoprostane?

The molecular weight of Trihydroxycoprostane is 420.7 g/mol.

What are the synonyms of Trihydroxycoprostane?

The synonyms of Trihydroxycoprostane are Trihydroxycoprostane, 5beta-Cholestane-3alpha,7alpha,12alpha-triol, 547-96-6, and trihydroxycholestane.

Is Trihydroxycoprostane a human metabolite or a mouse metabolite?

Trihydroxycoprostane is both a human metabolite and a mouse metabolite.

What is the IUPAC name of Trihydroxycoprostane?

The IUPAC name of Trihydroxycoprostane is (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol.

What is the InChI code of Trihydroxycoprostane?

The InChI code of Trihydroxycoprostane is InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22-,23-,24+,25+,26+,27-/m1/s1.

What is the CAS number of Trihydroxycoprostane?

The CAS number of Trihydroxycoprostane is 547-96-6.

What is the XLogP3-AA value of Trihydroxycoprostane?

The XLogP3-AA value of Trihydroxycoprostane is 6.7.

What is the hydrogen bond donor count of Trihydroxycoprostane?

The hydrogen bond donor count of Trihydroxycoprostane is 3.