Pregnenolone

• Catalog Number: ACM145131
• Product Name: Pregnenolone
• CAS: 145-13-1
• Category: Steroidal Compounds
• Synonyms: 3β-Hydroxy-pregn-5-ene-20-one
• IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
• Molecular Weight: 316.48
• Molecular Formula: C21H32O2
• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
• InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
• InChI Key: ORNBQBCIOKFOEO-QGVNFLHTSA-N
• Boiling Point: 395.89 °C
• Melting Point: 188-190 °C
• Flash Point: 9 °C
• Density: 1.038 g/ml
• Appearance: Powder
• Exact Mass: 316.240230259
• Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
• Monoisotopic Mass: 316.240230259
• Physical State: Powder
• Refractive Index: n20/D 1.5344(lit.)
• Safety Description: S24/25
• Topological Polar Surface Area: 37.3 Ų
• WGK Germany: 3

Custom Q&A

What is the PubChem CID for pregnenolone?

The PubChem CID for pregnenolone is 8955.

What is the molecular formula of pregnenolone?

The molecular formula of pregnenolone is C21H32O2.

What is the molecular weight of pregnenolone?

The molecular weight of pregnenolone is 316.5 g/mol.

What is the IUPAC name of pregnenolone?

The IUPAC name of pregnenolone is 1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.

What is the InChI code for pregnenolone?

The InChI code for pregnenolone is InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1.

What is the CAS number of pregnenolone?

The CAS number of pregnenolone is 145-13-1.

What is the common name of pregnenolone?

The common name of pregnenolone is pregnenolone.

What is the ChEBI ID of pregnenolone?

The ChEBI ID of pregnenolone is CHEBI:17148.

What is the KEGG ID of pregnenolone?

The KEGG ID of pregnenolone is C01953.

What is the XLogP3 value of pregnenolone?

The XLogP3 value of pregnenolone is 4.2.