δ-Cadinol

Compound Structure:

Synonyms:

delta-Cadinol; 19435-97-3 ;1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R-(1alpha,4beta,4abeta,8abeta))- Muurolol; (1R,4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol

Compound ID:

NMPC-1668

PubChem ID:

3084311

Molecular Formula:

C15H26O

Canonical SMILES:

CC1=CC2C(CCC(C2CC1)(C)O)C(C)C

InChIKey:

LHYHMMRYTDARSZ-ZQDZILKHSA-N

About the compound:

(-)-delta-cadinol is a cadinanesesquiterpenoid that consists of 1,6-dimethyl-4-(propan-2-yl)-1,2,3,4,4a,7,8,8a-octahydronaphthalene having a hydroxy substituent at position 1 and (1R,4S,4aR,8aS)-configuration. It has a role as an algal metabolite and a plant metabolite. It is a cadinanesesquiterpenoid, a member of octahydronaphthalenes and a tertiary alcohol. It is an enantiomer of a (+)-delta-cadinol.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.3
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	4
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:

Cymbopogon citratus
Plumeria alba

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