beta-Eudesmol

Compound Structure:

Synonyms:

beta-Eudesmol;473-15-4;beta-Selinenol;Eudesm-4(14)-en-11-ol;CHEBI:10417;.beta.-Eudesmol;UNII-6R61524P48;(2R,4aR,8aS)-Decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol;6R61524P48;.beta.-Selinenol

Compound ID:

NMPC-662

PubChem ID:

91457

Molecular Formula:

C15H26O

Canonical SMILES:

CC12CCCC(=C)C1CC(CC2)C(C)(C)O

InChIKey:

BOPIMTNSYWYZOC-VNHYZAJKSA-N

About the compound:

Beta-eudesmol is a carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). It has a role as a volatile oil component. It is a carbobicyclic compound, a tertiary alcohol and a eudesmane sesquiterpenoid.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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:

Zingiber officinale
Tithonia rotundifolia
Eucalyptus cloeziana
Eucalyptus tereticornis
Centratherum punctatum
Pyrenacantha staudtii
Tecoma stans

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