5-Alpha-pregnan-3-beta,17,20-alpha-triol

• CAS: 520-86-5
• Catalog Number: ACM520865
• Category: Steroidal Compounds
• Molecular Weight: 336.51
• Molecular Formula: C₂₁H₃₆O₃
• Synonyms: REICHSTEIN'S SUBSTANCE ''J'';REICHSTEIN'S SUBSTANCE 'J';REICHSTEIN'S SUBSTANCE O;ALLOPREGNAN-3BETA,17ALPHA,20BETA-TRIOL;5ALPHA-PREGNAN-3BETA,17ALPHA,20BETA-TRIOL;5-ALPHA-PREGNAN-3-BETA, 17,20-ALPHA-TRIOL;5-ALPHA-PREGNAN-3-BETA, 17,20-BETA-TRIOL;5-ALPHA-P
• IUPAC Name: 3-Chloro-7-methylbenzo[d]isoxazole
• Boiling Point: 469.9ºC at 760mmHg
• Flash Point: 208.2ºC
• Density: 1.123g/cm³
• Exact Mass: 336.26600

Custom Q&A

What is the molecular formula of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The molecular formula is C21H36O3.

What is the molecular weight of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The molecular weight is 336.5 g/mol.

What is the IUPAC name of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The IUPAC name is (3S,5S,8R,9S,10S,13S,14S,17R)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol.

What is the InChI of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The InChI is InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-/m0/s1.

What is the InChIKey of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The InChIKey is SCPADBBISMMJAW-LEKZYSGJSA-N.

What is the canonical SMILES of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The canonical SMILES is CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O.

How many hydrogen bond donor count does 5-Alpha-pregnan-3-beta,17,20-alpha-triol have?

It has 3 hydrogen bond donor count.

How many hydrogen bond acceptor count does 5-Alpha-pregnan-3-beta,17,20-alpha-triol have?

It has 3 hydrogen bond acceptor count.

How many rotatable bond count does 5-Alpha-pregnan-3-beta,17,20-alpha-triol have?

It has 1 rotatable bond count.

What is the topological polar surface area of 5-Alpha-pregnan-3-beta,17,20-alpha-triol?

The topological polar surface area is 60.7Ų.