Spinasterone

Spinasterone
Compound Structure:
Synonyms: Spinasterone; 23455-44-9
Compound ID: NMPC-1496
PubChem ID:

543613
Molecular Formula: C29H46O
Canonical SMILES: CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)C(C)C
InChIKey: DZUAZCZFSVNHEF-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

410.7 g/mol

XLogP3-AA

7.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

410.354866087 g/mol

Monoisotopic Mass

410.354866087 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

30

Formal Charge

0

Complexity

714

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

8

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

1

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Calliandra portoricensis
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