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(1'S,2'S,7'S,10'R,11'S,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolane]
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ChemBase ID:
210158
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Molecular Formular:
C23H36O4
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Molecular Mass:
376.52954
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Monoisotopic Mass:
376.26135963
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SMILES and InChIs
SMILES:
[C@@]12([C@H]([C@H]3[C@@H]([C@@]4([C@H](CC5(OCCO5)CC4)CC3)C)CC2)CCC21OCCO2)C
Canonical SMILES:
C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC12OCCO1)C)OCCO3
InChI:
InChI=1S/C23H36O4/c1-20-9-10-22(24-11-12-25-22)15-16(20)3-4-17-18(20)5-7-21(2)19(17)6-8-23(21)26-13-14-27-23/h16-19H,3-15H2,1-2H3/t16-,17+,18-,19-,20-,21-/m0/s1
InChIKey:
MNFVYVHTLBDTIR-STHVQZNPSA-N
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Cite this record
CBID:210158 http://www.chembase.cn/molecule-210158.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(1'S,2'S,7'S,10'R,11'S,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolane]
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IUPAC Traditional name
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(1'S,2'S,7'S,10'R,11'S,15'S)-2',15'-dimethyldispiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.02,7.011,15]heptadecane-14',2''-[1,3]dioxolane]
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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4.3677406
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LogD (pH = 7.4)
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4.3677406
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Log P
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4.3677406
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Molar Refractivity
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102.9638 cm3
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Polarizability
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41.4921 Å3
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Polar Surface Area
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36.92 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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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Derivatives & analogs of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent