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1225-01-0 molecular structure
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(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 and InChIs

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

Cite this record

CBID:125186 http://www.chembase.cn/molecule-125186.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,2S,5R,7S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.02,7.011,15]heptadecan-14-one
IUPAC Traditional name
19-norandrosterone
Synonyms
19-Norandrosterone
CAS Number
1225-01-0
PubChem SID
162219536
PubChem CID
9548753
CHEBI ID
36412
Chemspider ID
7827676
Wikipedia Title
19-Norandrosterone

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.30947  H Acceptors
H Donor LogD (pH = 5.5) 3.4672375 
LogD (pH = 7.4) 3.4672375  Log P 3.4672375 
Molar Refractivity 79.3338 cm3 Polarizability 31.657364 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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