Home > Compound List > Compound details
2268-98-6 molecular structure
click picture or here to close

14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-17-yl acetate

ChemBase ID: 133580
Molecular Formular: C23H32O4
Molecular Mass: 372.49778
Monoisotopic Mass: 372.2300595
SMILES and InChIs

SMILES:
CC(=O)C1CCC2C1(CC(C1C2CCC2=CC(=O)CCC12C)OC(=O)C)C
Canonical SMILES:
CC(=O)OC1CC2(C)C(C3C1C1(C)CCC(=O)C=C1CC3)CCC2C(=O)C
InChI:
InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(26)9-10-22(15,3)21(17)20(27-14(2)25)12-23(18,19)4/h11,17-21H,5-10,12H2,1-4H3
InChIKey:
IWRPVTXREVYBHT-UHFFFAOYSA-N

Cite this record

CBID:133580 http://www.chembase.cn/molecule-133580.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-17-yl acetate
IUPAC Traditional name
14-acetyl-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-17-yl acetate
Synonyms
11α-Hydroxy-4-pregnene-3,20-dione 11-acetate
4-Pregnen-11α-ol-3,20-dione 11-acetate
11α-Acetoxyprogesterone
CAS Number
2268-98-6
MDL Number
MFCD00021152
PubChem SID
162227857
24890735
PubChem CID
519975

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A4000 external link Add to cart Please log in.
Data Source Data ID
PubChem 519975 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.87449  H Acceptors
H Donor LogD (pH = 5.5) 3.280965 
LogD (pH = 7.4) 3.280965  Log P 3.280965 
Molar Refractivity 103.4493 cm3 Polarizability 40.84742 Å3
Polar Surface Area 60.44 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle