Cyperene

Compound Structure:

Synonyms:

1,4,9,9-tetramethyl-2,4,5,6,7,8-hexahydro-3H-3a,7-Methanoazulene; 3H-3a,2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, [3aR-(3a.alpha.,4.beta.,7.alpha.)]-; 3H-3a,2,4,5,6,7,8-hexahydro-1,4,9,9-tetramethyl-, (-)-

Compound ID:

NMPC-942

PubChem ID:

99856

Molecular Formula:

C15H24

Canonical SMILES:

CC1CCC2CC3=C(CCC13C2(C)C)C

InChIKey:

RTBLDXVIGWSICW-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 11 of 11 companies. For more detailed information, please visit ECHA C&L website.

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	204.187800766 g/mol
Monoisotopic Mass	204.187800766 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	334
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Tithonia diversifolia
Brachystegia eurycoma
Hyparrhenia rufa
Tagetes erecta
Cyperus articulatus
Pyrenacantha staudtii

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