3-O-benzoylhosloppone

3-O-benzoylhosloppone
Compound Structure:
Synonyms: [(2S,4aS)-5-hydroxy-1,1,4a-trimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-2-yl] benzoate
Compound ID: NMPC-372
PubChem ID:

10477133
Molecular Formula: C27H30O4
Canonical SMILES: CC(C)C1=CC2=CC=C3C(C(CCC3(C2=C(C1=O)O)C)OC(=O)C4=CC=CC=C4)(C)C
InChIKey: KCFFKDXTABUTPF-IDISGSTGSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

418.5 g/mol

XLogP3-AA

5.6

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

4

Exact Mass

418.21440943 g/mol

Monoisotopic Mass

418.21440943 g/mol

Topological Polar Surface Area

63.6Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

921

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Hoslundia opposita
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