17-Alpha-ethynyl-19-nortestosterone acetate oxime

• Catalog Number: ACM20799240
• Product Name: 17-Alpha-ethynyl-19-nortestosterone acetate oxime
• CAS: 20799-24-0
• Category: Steroidal Compounds
• Synonyms: 17-(acetyloxy)-,3-oxime,(17-alpha)-19-norpregn-4-en-20-yn-3-on;17-(acetyloxy)-19-norpregn-4-en-20-yn-3-one3-oxime;17-alpha-ethynyl-17-beta-acetoxy-19-norandrost-4-en-3-oneoxime;19-nor-17-alpha-pregn-4-en-20-yn-3-one,17-hydroxy-,oxime,acetate;norethistero
• IUPAC Name: [(3Z,8R,9S,10R,13S,14S)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
• Molecular Weight: 355.47
• Molecular Formula: C₂₂H₂₉NO₃
• Canonical SMILES: CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=NO)CCC34)C)C#C
• InChI Key: SCTDPGXGNWEFNF-GJTBTGPWSA-N
• Boiling Point: 486.1ºC at 760mmHg
• Flash Point: 247.8ºC
• Density: 1.24g/cm³
• Exact Mass: 355.21500
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The molecular formula is C22H29NO3.

What is the molecular weight of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The molecular weight is 355.5 g/mol.

What is the IUPAC name of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The IUPAC name is [(3E,8R,9S,10R,13S,14S,17R)-17-ethynyl-3-hydroxyimino-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate.

What is the InChI of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The InChI is InChI=1S/C22H29NO3/c1-4-22(26-14(2)24)12-10-20-19-7-5-15-13-16(23-25)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20,25H,5-12H2,2-3H3/b23-16+/t17-,18+,19+,20-,21-,22-/m0/s1.

What is the InChIKey of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The InChIKey is SCTDPGXGNWEFNF-LQRGBYOBSA-N.

What is the canonical SMILES of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The canonical SMILES is CC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=NO)CCC34)C)C#C.

What is the isomeric SMILES of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The isomeric SMILES is CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N/O)/CC[C@H]34)C)C#C.

What is the XLogP3 value of 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

The XLogP3 value is 3.8.

How many hydrogen bond donor counts are there in 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 17-Alpha-ethynyl-19-nortestosterone acetate oxime?

There are 4 hydrogen bond acceptor counts.