funtumine

Compound Structure:

Synonyms:

"1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone "

Compound ID:

NMPC-1061

PubChem ID:

101702

Molecular Formula:

C21H35NO

Canonical SMILES:

CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C

InChIKey:

POWBIOMTXFDIOP-SYBPFIFISA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	317.5 g/mol
XLogP3-AA	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	317.271864740 g/mol
Monoisotopic Mass	317.271864740 g/mol
Topological Polar Surface Area	43.1Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	502
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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:

Funtumia africana

Download SDF