Androstan-3-one

Compound Structure:

Synonyms:

Androstan-3-one;118371-41-8;10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one;3-Oxosteroid;SCHEMBL19877200;DTXSID80331425;3-KETO-5-ALPHA-ANDROSTANE;AKOS004900538

Compound ID:

NMPC-586

PubChem ID:

439594

Molecular Formula:

C19H30O

Canonical SMILES:

CC12CCCC1C3CCC4CC(=O)CCC4(C3CC2)C

InChIKey:

VMNRNUNYBVFVQI-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	274.4 g/mol
XLogP3-AA	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	274.229665576 g/mol
Monoisotopic Mass	274.229665576 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	428
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Curculigo pilosa

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