Tau-muurolol

Compound Structure:

Synonyms:

delta.-Cadinol; .tau.-Muurolol ;(Z)-.alpha.-Cadinol ;1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,4a.beta.,8a.beta.)]-

Compound ID:

NMPC-1517

PubChem ID:

6432221

Molecular Formula:

C15H26O

Canonical SMILES:

CC1=CC2C(CCC(C2CC1)(C)O)C(C)C

InChIKey:

LHYHMMRYTDARSZ-PPWQZUPISA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449 g/mol
Monoisotopic Mass	222.198365449 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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
Boiling Point	302.00 to 304.00 °C. @ 760.00 mm Hg
Melting Point	139 - 140 °C

Source:PubChem

Source Species:

Laggera aurita
Solanum nigrum

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