Isoaromadendrene epoxide

Compound Structure:

Synonyms:

Isoaromadendrene epoxide; 1,3b,6,6-Tetramethyldecahydro-1H-cyclopropa[7,8]azuleno[4,5-b]oxirene; 2,7,7,10-tetramethyl-3-oxatetracyclo[7.3.0.02,4.06,8]dodecane

Compound ID:

NMPC-1147

PubChem ID:

534398

Molecular Formula:

C15H24O

Canonical SMILES:

CC1CCC2C1C3C(C3(C)C)CC4C2(O4)C

InChIKey:

GLKQAHXBJLGAFT-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	220.35 g/mol
XLogP3-AA	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	220.182715385 g/mol
Monoisotopic Mass	220.182715385 g/mol
Topological Polar Surface Area	12.5Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Dalbergia saxatilis

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