(1R,2S,5R,7S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-one

• ChemBase ID: 125186
• Molecular Formular: C18H28O2
• Molecular Mass: 276.41372
• Monoisotopic Mass: 276.20893014
• SMILES: C[C@]12CC[C@@H]3[C@H]4CC[C@H](C[C@@H]4CC[C@H]3[C@@H]1CCC2=O)O
• Canonical SMILES: O[C@@H]1CC[C@H]2[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
• InChI: InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-16,19H,2-10H2,1H3/t11-,12+,13-,14+,15+,16-,18-/m0/s1
• InChIKey: UOUIARGWRPHDBX-CQZDKXCPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2S,5R,7S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadecan-14-one
• IUPAC Traditional name: 19-norandrosterone
• Synonyms: 19-Norandrosterone

Database IDs

• CAS Number: 1225-01-0
• PubChem SID: 162219536
• PubChem CID: 9548753
• CHEBI ID: 36412
• Chemspider ID: 7827676
• Wikipedia Title: 19-Norandrosterone

CALCULATED PROPERTIES

• Acid pKa: 18.30947
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4672375
• LogD (pH = 7.4): 3.4672375
• Log P: 3.4672375
• Molar Refractivity: 79.3338 cm^3
• Polarizability: 31.657364 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true