laurenene

laurenene
Compound Structure:
Synonyms: (1S,5S,9R,12S,15S)-1,5,9,13,13-pentamethyltetracyclo[7.5.1.0^4,15.0^12,15]pentadec-3-ene; Laurenene.
Compound ID: NMPC-1191
PubChem ID:

91747181

Molecular Formula: C20H32
Canonical SMILES: CC1CCCC2(CCC3C24C1=CCC4(CC3(C)C)C)C
InChIKey: TYDFDHZTDWVUJF-ARSBKQPYSA-N
About the compound:

Laurenene is a diterpene natural product with an unusual [5.5.5.7]fenestrane structure. It was first discovered in extracts from the New Zealand tree species Dacrydiumcupressinum by researchers at the University of Otago. It has since been found in other species of New Zealand trees, such as Podocarpustotara.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

272.5 g/mol

XLogP3-AA

6.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

0

Exact Mass

272.250401021 g/mol

Monoisotopic Mass

272.250401021 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

484

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

Source: PubChem            

Source Species: Araucaria cunninghamii
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