Nilestriol

• CAS: 39791-20-3
• Catalog Number: ACM39791203
• Category: Steroidal Compounds
• Molecular Weight: 380.52
• Molecular Formula: C₂₅H₃₂O₃
• Synonyms: NILESTRIOL;nylestriol;3-(cyclopentyloxy)-17alpha-ethinyl-1,3,5(10)-estratrien-16alpha,17beta-diol;17alpha-ethynylestra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-cyclopentyl ether;17α-Ethynyl-3-cyclopentyloxyestra-1,3,5(10)-triene-16α,17β-diol;(8R,9S,13S,
• IUPAC Name: Nilestriol
• Boiling Point: 521.7ºC at 760 mmHg
• Flash Point: 269.3ºC
• Density: 1.21 g/cm³
• Exact Mass: 380.23500

Custom Q&A

What is the PubChem CID of Nilestriol?

The PubChem CID of Nilestriol is 38346.

What is the molecular formula of Nilestriol?

The molecular formula of Nilestriol is C25H32O3.

What is the molecular weight of Nilestriol?

The molecular weight of Nilestriol is 380.5 g/mol.

What is the IUPAC name of Nilestriol?

The IUPAC name of Nilestriol is (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol.

What is the InChI of Nilestriol?

The InChI of Nilestriol is InChI=1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3/t20-,21-,22+,23-,24+,25+/m1/s1.

What is the InChIKey of Nilestriol?

The InChIKey of Nilestriol is CHZJRGNDJLJLAW-RIQJQHKOSA-N.

What is the canonical SMILES of Nilestriol?

The canonical SMILES of Nilestriol is CC12CCC3C(C1CC(C2(C#C)O)O)CCC4=C3C=CC(=C4)OC5CCCC5.

How many hydrogen bond donor count does Nilestriol have?

Nilestriol has 2 hydrogen bond donor counts.

What is the XLogP3 value of Nilestriol?

The XLogP3 value of Nilestriol is 4.3.

What is the topological polar surface area of Nilestriol?

The topological polar surface area of Nilestriol is 49.7Ų.