Dihydrocholesterol

• Catalog Number: ACM80977
• Product Name: Dihydrocholesterol
• CAS: 80-97-7
• Category: Steroidal Compounds
• Synonyms: Cholestan-3beta-ol
• IUPAC Name: (3S,5S,8R,9S,10S,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]phenanthren-3-ol
• Molecular Weight: 388.68
• Molecular Formula: C27H48O
• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
• InChI: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChI Key: QYIXCDOBOSTCEI-QCYZZNICSA-N
• Boiling Point: 454.32 °C
• Melting Point: 138-142 °C
• Flash Point: 190.7 °C
• Density: 0.9506 g/cm³
• Solubility: Insoluble in water
• Appearance: Solid
• Storage: -20 °C
• Complexity: 540
• Exact Mass: 388.370516150
• Hazard Statements: Xn: Harmful
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
• Monoisotopic Mass: 388.370516150
• Physical State: Solid
• pKa: 15.14±0.70(Predicted)
• Refractive Index: 1.5250
• Safety Description: S22-S24/25
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• Topological Polar Surface Area: 20.2 Ų

Custom Q&A

What is the PubChem CID for Dihydrocholesterol?

The PubChem CID for Dihydrocholesterol is 6665.

What is the molecular formula of Dihydrocholesterol?

The molecular formula of Dihydrocholesterol is C27H48O.

What is the molecular weight of Dihydrocholesterol?

The molecular weight of Dihydrocholesterol is 388.7 g/mol.

What are some synonyms for Dihydrocholesterol?

Some synonyms for Dihydrocholesterol include beta-Cholestanol, Zymostanol, and 5alpha-Cholestanol.

What is the IUPAC Name of Dihydrocholesterol?

The IUPAC Name of Dihydrocholesterol is (3S,5S,8R,9S,10S,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]phenanthren-3-ol.

Where is Dihydrocholesterol found in nature?

Dihydrocholesterol is found in nature in organisms like Echinometra lucunter and Nothoscordum montevidense.

What is the CAS number of Dihydrocholesterol?

The CAS number of Dihydrocholesterol is 80-97-7.

What is the XLogP3-AA value of Dihydrocholesterol?

The XLogP3-AA value of Dihydrocholesterol is 9.4.

How many hydrogen bond donor counts does Dihydrocholesterol have?

Dihydrocholesterol has 1 hydrogen bond donor count.

What is the topological polar surface area of Dihydrocholesterol?

The topological polar surface area of Dihydrocholesterol is 20.2Ų.