α-calacorene

Compound Structure:

Synonyms:

alpha-Calacorene ;21391-99-1 ;(S)-1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene ;(1S)-4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene; (1S)-4,7-dimethyl-1-(propan-2-yl)-1,2-dihydronaphthalene

Compound ID:

NMPC-1620

PubChem ID:

12302243

Molecular Formula:

C15H20

Canonical SMILES:

CC1=CCC(C2=C1C=CC(=C2)C)C(C)C

InChIKey:

CUUMXRBKJIDIAY-ZDUSSCGKSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	200.32 g/mol
XLogP3-AA	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	200.156500638 g/mol
Monoisotopic Mass	200.156500638 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	249
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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:

Senna podocarpa
Solanum nigrum
Palisota hirsuta
Cyperus articulatus
Pyrenacantha staudtii

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