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(4R,6R)-6-([1S,2S,6S,8S,8aR]-2-{1,2,6,7,8,8a-Hexahydro-6-hydroxy-8-[2-(4-fluorophenoxy)-2-methylpropionyloxy]-2-methyl-1-naphthyl}ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

HCID 54259256
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[C@H]1C=CC2=C[C@@H](O)C[C@H](OC(=O)C(C)(C)Oc3ccc(F)cc3)[C@@H]2[C@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1
InChIKey
RCHSJPQDFAQDNR-ZYBXGKIISA-N
Molecular formula
C28H35FO7
Average molar mass
502.6 g/mol

Names & identifiers

Preferred name
(4R,6R)-6-([1S,2S,6S,8S,8aR]-2-{1,2,6,7,8,8a-Hexahydro-6-hydroxy-8-[2-(4-fluorophenoxy)-2-methylpropionyloxy]-2-methyl-1-naphthyl}ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one
IUPAC
[(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-(4-fluorophenoxy)-2-methylpropanoate

Names & synonyms

SCHEMBL8728629RCHSJPQDFAQDNR-ZYBXGKIISA-N(4R,6R)-6-([1S,2S,6S,8S,8aR]-2-{1,2,6,7,8,8a-Hexahydro-6-hydroxy-8-[2-(4-fluorophenoxy)-2-methylpropionyloxy]-2-methyl-1-naphthyl}ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

Database identifiers

PubChem CID
54259256

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
860

Related reactions

1 records
New reaction record
HRID 2396249 reaction equation
HRID 2396249As productuspto-grants-1996_02

Compound notes

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