Registration Dossier

Administrative data

Endpoint:
dissociation constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
4 (not assignable)
Rationale for reliability incl. deficiencies:
other: Only result available.

Data source

Reference
Reference Type:
secondary source
Title:
No information
Bibliographic source:
SciFinder: Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02

Materials and methods

Test material

Constituent 1
Chemical structure
Reference substance name:
(8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17,-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2´-[1,3]dioxolan]-17-ol
EC Number:
610-527-3
Cas Number:
50407-76-6
Molecular formula:
C23H32O3
IUPAC Name:
(8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-1,2,4,7,8,9,10,11,12,13,14,15,16,17,-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2´-[1,3]dioxolan]-17-ol

Results and discussion

Dissociation constant
No.:
#1
pKa:
13.11
Temp.:
25 °C
Remarks on result:
other: Error: 0.60

Applicant's summary and conclusion