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15051-81-7 molecular structure
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2-[(2R,4aS)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol

ChemBase ID: 304260
Molecular Formular: C15H26O
Molecular Mass: 222.36634
Monoisotopic Mass: 222.19836545
SMILES and InChIs

SMILES:
C1CC(=C2[C@@](C1)(CC[C@H](C2)C(C)(C)O)C)C
Canonical SMILES:
CC1=C2C[C@@H](CC[C@@]2(CCC1)C)C(O)(C)C
InChI:
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1
InChIKey:
WMOPMQRJLLIEJV-DOMZBBRYSA-N

Cite this record

CBID:304260 http://www.chembase.cn/molecule-304260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(2R,4aS)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol
IUPAC Traditional name
10-epi-gamma-eudesmol
Synonyms
epi-Eudesmol
CAS Number
15051-81-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP00393
Data Source Data ID Price
BioBioPha
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.347033  H Acceptors
H Donor LogD (pH = 5.5) 3.4301362 
LogD (pH = 7.4) 3.4301364  Log P 3.4301364 
Molar Refractivity 69.1674 cm3 Polarizability 27.301434 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Oil expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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