Alphamuurolene

Compound Structure:

Synonyms:

alpha-Muurolene;Muurolene;10208-80-7;D2ZGB75M36;alpha-Muurolene, (-)-;UNII-D2ZGB75M36;B1-Cadinene;(+)-alpha-muurolene;Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4aalpha,8aalpha))-

Compound ID:

NMPC-580

PubChem ID:

12306047

Molecular Formula:

C15H24

Canonical SMILES:

CC1=CC2C(CC1)C(=CCC2C(C)C)C

InChIKey:

QMAYBMKBYCGXDH-ZNMIVQPWSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	176.17 g/mol
XLogP3-AA	-1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	176.06847348 g/mol
Monoisotopic Mass	176.06847348 g/mol
Topological Polar Surface Area	68.2Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	173
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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:

Heeria insignis
Laggera alata
Momordica angustisepala
Cyperus articulatus
Murraya Koenigii
Pyrenacantha staudtii

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