α-Bulnesene

Compound Structure:

Synonyms:

Guaia-1(10),11-diene ;alpha-Bulnesene; .delta.-Guaiene; .alpha.-Bulnesene ;Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.beta.)]-

Compound ID:

NMPC-1618

PubChem ID:

6432384

Molecular Formula:

C15H24

Canonical SMILES:

CC1CCC2=C(CCC(CC12)C(=C)C)C

InChIKey:

YHAJBLWYOIUHHM-NEJHNUGDSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
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	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source:PubChem

Source Species:

Solanum nigrum
Cymbopogon citratus
Plumeria alba

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