Lanosterol

Compound Structure:

Synonyms:

(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol; Lanosterol; Lanosterin; Lanster; Lanosta-8,24-dienol; (3beta)-lanosta-8,24-dien-3-ol; Lanosta-8,24-dien-

Compound ID:

NMPC-1188

PubChem ID:

246983

Molecular Formula:

C30H50O

Canonical SMILES:

CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C

InChIKey:

CAHGCLMLTWQZNJ-BQNIITSRSA-N

About the compound:

Lanosterol is a tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived. It has a role as a bacterial metabolite, a plant metabolite, a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a 3beta-sterol, a tetracyclic triterpenoid and a 14alpha-methyl steroid. It derives from a hydride of a lanostane.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	426.7 g/mol
XLogP3-AA	8.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
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	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	140.5°C

Source: PubChem

Source Species:

Vernonia blumeoides

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