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164265978 molecular structure
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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]

ChemBase ID: 210068
Molecular Formular: C15H22O3
Molecular Mass: 250.33338
Monoisotopic Mass: 250.15689456
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

Cite this record

CBID:210068 http://www.chembase.cn/molecule-210068.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1'S,2'S,8'R)-13'-oxaspiro[1,3-dioxolane-2,14'-tetracyclo[6.4.1.12,6.01,8]tetradecane]
IUPAC Traditional name
(1'S,2'S,8'R)-13'-oxaspiro[1,3-dioxolane-2,14'-tetracyclo[6.4.1.12,6.01,8]tetradecane]
PubChem SID
164265978
PubChem CID
16403100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16403100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 26.803392 Å3 Polar Surface Area 27.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 2.7914572  LogD (pH = 7.4) 2.7914572 
Log P 2.7914572  Molar Refractivity 65.8109 cm3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Rare Derivatives of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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