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472-54-8 molecular structure
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(1S,2R,10R,11S,14S,15S)-14-acetyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

ChemBase ID: 125187
Molecular Formular: C20H28O2
Molecular Mass: 300.43512
Monoisotopic Mass: 300.20893014
SMILES and InChIs

SMILES:
O=C1C=C2[C@@H]([C@H]3CC[C@@]4([C@@H](C(=O)C)CC[C@H]4[C@@H]3CC2)C)CC1
Canonical SMILES:
O=C1CC[C@H]2C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)C)C
InChI:
InChI=1S/C20H28O2/c1-12(21)18-7-8-19-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18+,19-,20+/m0/s1
InChIKey:
NVUUMOOKVFONOM-GPBSYSOESA-N

Cite this record

CBID:125187 http://www.chembase.cn/molecule-125187.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R,10R,11S,14S,15S)-14-acetyl-15-methyltetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one
IUPAC Traditional name
19-norprogesterone
Synonyms
19-norpregn-4-ene-3,20-dione
19-Norprogesterone
19-Norprogesterone
CAS Number
472-54-8
MDL Number
MFCD00058412
PubChem SID
24897571
162219537
PubChem CID
228864
Chemspider ID
199224
Wikipedia Title
19-Norprogesterone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
N2390 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.036032  H Acceptors
H Donor LogD (pH = 5.5) 3.8485572 
LogD (pH = 7.4) 3.8485572  Log P 3.8485572 
Molar Refractivity 88.2302 cm3 Polarizability 34.555355 Å3
Polar Surface Area 34.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Apperance
off-white powder expand Show data source
RTECS
RC8960500 expand Show data source
MSDS Link
Download expand Show data source
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
Gene Information
human ... SERPINA6(866) expand Show data source
Empirical Formula (Hill Notation)
C20H28O2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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