(1S,2R,10S,11S,14S,15S)-14-[(1R)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase ID: 125298
• Molecular Formular: C21H32O2
• Molecular Mass: 316.47758
• Monoisotopic Mass: 316.24023026
• SMILES: O=C1C=C2[C@]([C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CC2)[C@H](O)C)C)(C)CC1
• Canonical SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](O)C)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/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
• InChIKey: RWBRUCCWZPSBFC-SJOKZOANSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10S,11S,14S,15S)-14-[(1R)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC Traditional name: 20β-dihydroprogesterone
• Synonyms: 20α-Dihydroprogesterone

Database IDs

• PubChem SID: 162219648
• PubChem CID: 92747; 8956
• Chemspider ID: 83725
• MeSH Name: 20-alpha-Dihydroprogesterone
• Wikipedia Title: 20α-Dihydroprogesterone

CALCULATED PROPERTIES

• Acid pKa: 19.003403
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9411035
• LogD (pH = 7.4): 3.9411037
• Log P: 3.9411037
• Molar Refractivity: 93.7334 cm^3
• Polarizability: 36.94731 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true