shyobunol

Compound Structure:

Synonyms:

Shyobunol ;6-epi-Shyobunol ;elema-1,3-dien-6.alpha.-ol; CHEBI:189889

Compound ID:

NMPC-1483

PubChem ID:

Molecular Formula:

C15H26O

Canonical SMILES:

CC(C)C1CCC(C(C1O)C(=C)C)(C)C=C

InChIKey:

WOULTTPZJDSDEI-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	222.198365449 g/mol
Monoisotopic Mass	222.198365449 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
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

Source: PubChem

Source Species:

Araucaria cunninghamii

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