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207446-90-0 molecular structure
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(3R,6R,6aS,9R,10R,10aS,10bS)-9,10-dihydroxy-3,6,9-trimethyl-decahydro-2H-naphtho[4a,4-b]furan-2-one

ChemBase ID: 305393
Molecular Formular: C15H24O4
Molecular Mass: 268.34866
Monoisotopic Mass: 268.16745925
SMILES and InChIs

SMILES:
C1[C@@]([C@H]([C@]23[C@@H](C1)[C@@H](CC[C@H]2[C@H](C(=O)O3)C)C)O)(C)O
Canonical SMILES:
O=C1O[C@]23[C@H]([C@H]1C)CC[C@H]([C@@H]2CC[C@@]([C@H]3O)(C)O)C
InChI:
InChI=1S/C15H24O4/c1-8-4-5-11-9(2)12(16)19-15(11)10(8)6-7-14(3,18)13(15)17/h8-11,13,17-18H,4-7H2,1-3H3/t8-,9-,10+,11+,13-,14-,15+/m1/s1
InChIKey:
FONFQQKKCDVNRC-GZEPNZDPSA-N

Cite this record

CBID:305393 http://www.chembase.cn/molecule-305393.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3R,6R,6aS,9R,10R,10aS,10bS)-9,10-dihydroxy-3,6,9-trimethyl-decahydro-2H-naphtho[4a,4-b]furan-2-one
IUPAC Traditional name
(3R,6R,6aS,9R,10R,10aS,10bS)-9,10-dihydroxy-3,6,9-trimethyl-octahydro-3H-naphtho[4a,4-b]furan-2-one
Synonyms
Arteannuin M
CAS Number
207446-90-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP01872
Data Source Data ID Price
BioBioPha
BBP01872 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.8643675  H Acceptors
H Donor LogD (pH = 5.5) 1.5441538 
LogD (pH = 7.4) 1.5441523  Log P 1.5441538 
Molar Refractivity 69.4382 cm3 Polarizability 28.205791 Å3
Polar Surface Area 66.76 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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