beta-Vatirenen

Compound Structure:

Synonyms:

beta-Vatirenene;1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene; N;4.beta.H,5.alpha.-Eremophila-1,7(11),9-triene;Q27161653;(8R,8aS)-8,8a-Dimethyl-2-(propan-2-ylidene)-1,2,3,7,8,8a-hexahydronaphthalene

Compound ID:

NMPC-666

PubChem ID:

608753

Molecular Formula:

C15H22

Canonical SMILES:

CC1CC=CC2=CCC(=C(C)C)CC12C

InChIKey:

QSUQBXKPPUWLTH-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	202.33 g/mol
XLogP3-AA	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	202.172150702 g/mol
Monoisotopic Mass	202.172150702 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	350
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid

Source: PubChem

Source Species:

Cyperus articulatus

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