Cycloeucalenol

Compound Structure:

Synonyms:

Cycloleucalenol; (1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol; 3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol

Compound ID:

NMPC-912

PubChem ID:

101690

Molecular Formula:

C30H50O

Canonical SMILES:

CC1C2CCC3C4(CCC(C4(CCC35C2(C5)CCC1O)C)C(C)CCC(=C)C(C)C)C

InChIKey:

HUNLTIZKNQDZEI-PGFZVWMDSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	426.7 g/mol
XLogP3-AA	9.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	426.386166214 g/mol
Monoisotopic Mass	426.386166214 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	739
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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:

Erythrophleum suaveolens

Download SDF