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(1'S,2'S,8'R)-13'-oxaspiro[1,3-dioxolane-2,14'-tetracyclo[6.4.1.12,6.01,8]tetradecane]
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ChemBase ID:
210068
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Molecular Formular:
C15H22O3
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Molecular Mass:
250.33338
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Monoisotopic Mass:
250.15689456
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SMILES and InChIs
SMILES:
[C@]123[C@](O1)(CC1C4([C@@H]2CCC1)OCCO4)CCCC3
Canonical SMILES:
C1CC2C[C@]34[C@@]([C@@H](C1)C12OCCO1)(CCCC4)O3
InChI:
InChI=1S/C15H22O3/c1-2-7-14-12-5-3-4-11(10-13(14,6-1)18-14)15(12)16-8-9-17-15/h11-12H,1-10H2/t11?,12-,13+,14-/m0/s1
InChIKey:
ANWMUIFFJAIOQX-GSPSYOTPSA-N
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Cite this record
CBID:210068 http://www.chembase.cn/molecule-210068.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1'S,2'S,8'R)-13'-oxaspiro[1,3-dioxolane-2,14'-tetracyclo[6.4.1.12,6.01,8]tetradecane]
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IUPAC Traditional name
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(1'S,2'S,8'R)-13'-oxaspiro[1,3-dioxolane-2,14'-tetracyclo[6.4.1.12,6.01,8]tetradecane]
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Polarizability
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26.803392 Å3
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Polar Surface Area
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27.69 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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2.7914572
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LogD (pH = 7.4)
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2.7914572
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Log P
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2.7914572
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Molar Refractivity
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65.8109 cm3
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Rare Derivatives of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent