Spathulenol

Spathulenol
Compound Structure:
Synonyms: Spathulenol 6750-60-3 espatulenol (+)-Spathulenol Spatulenol
Compound ID: NMPC-1492
PubChem ID:

92231

Molecular Formula: C15H24O
Canonical SMILES: CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
InChIKey: FRMCCTDTYSRUBE-BGPZULBFSA-N
About the compound:

Spathulenol is a tricyclic sesquiterpenoid that is 4-methylidenedecahydro-1H-cyclopropa[e]azulene carrying three methyl substituents at positions 1, 1 and 7 as well as a hydroxy substituent at position 7. It has a role as a volatile oil component, a plant metabolite, an anaesthetic and a vasodilator agent. It is a sesquiterpenoid, a carbotricyclic compound, a tertiary alcohol and an olefinic compound.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

3.1

Hydrogen Bond Donor Count

1

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

20.2²

Heavy Atom Count

16

Formal Charge

0

Complexity

343

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Boiling Point

296.00 to 298.00 °C. @ 760.00 mm Hg

Source:PubChem

Source Species: Eucalyptus globulus
Eugenia aromatica
Phyllanthus muellerianus
Solanum nigrum
Tithonia diversifolia
Araucaria cunninghamii
Eucalyptus cloeziana
Brachystegia eurycoma
Eucalyptus tereticornis
Eugenia uniflora
Cyperus articulatus
Centratherum punctatum
Murraya Koenigii
Plumeria alba
Pyrenacantha staudtii
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