Germacren-D-4-ol

Compound Structure:

Synonyms:

(2E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol; Germacrene D-4-ol; Germacren D-4-ol; Germacra-1(10),5-dien-4-ol; Hydroxy-1,7-dimethyl-4-isopropyl-2,7-cyclodecadiene; (2E,4S,7E)-4-Isopropyl-1,7-dimethylcyclodeca-2,7-dienol

Compound ID:

NMPC-1074

PubChem ID:

5352847

Molecular Formula:

C15H26O

Canonical SMILES:

CC1=CCCC(C=CC(CC1)C(C)C)(C)O

InChIKey:

RHCTXHCNRLCYBN-BMCYRRRCSA-N

About the compound:

Germacrene D-4-ol is a germacranesesquiterpenoid that is germacrene D in which the exocyclic double bond has undergone formal addition of water to afford the corresponding tertiary alcohol. It has a role as a volatile oil component and a plant metabolite. It is a germacranesesquiterpenoid, a tertiary allylic alcohol, an alicyclic compound and an olefinic compound.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.8
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	275
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Eucalyptus cloeziana
Hyparrhenia rufa
Tecoma stans

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