Longiverbenone

Compound Structure:

Synonyms:

2,6,6,11-tetramethyltricyclo[5.4.0.02,8]undec-10-en-9-one; Vulgarone B; Longiverbenone; 1-Oxo-a-longipinene; 2,6,6,11-tetramethyltricyclo[5.4.0.0^{2,8}]undec-10-en-9-one; 2,6,6,11-Tetramethyltricyclo[5.4.0.0~2,8~]undec-10-en-9-one

Compound ID:

NMPC-1211

PubChem ID:

530428

Molecular Formula:

C15H22O

Canonical SMILES:

CC1=CC(=O)C2C3C1C2(CCCC3(C)C)C

InChIKey:

KTPOZFYJWLGJGH-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	218.33 g/mol
XLogP3-AA	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	218.167065321 g/mol
Monoisotopic Mass	218.167065321 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	390
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	Solid
Melting Point	35.5 - 36 °C

Source: PubChem

Source Species:

Eucalyptus torelliana
Cyperus articulatus

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