Epicedrol

Epicedrol
Compound Structure:
Synonyms: (1S,2R,5S,7R,8S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-ol; (-)-Epicedrol; epi-Cedrol; 8-epicedrol; Cedran-8-ol; (3R,3aS,6S,7R,8aS)-3,6,8,8-tetramethyloctahydro-1H-3a,7-methanoazulen-6-ol; Isocedranol; (+)-pseudocedrol
Compound ID: NMPC-1010
PubChem ID:

6713078

Molecular Formula: C15H26O
Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)O
InChIKey: SVURIXNDRWRAFU-MIBAYGRRSA-N
About the compound:

Epi-cedrol is the 8S-epimer of cedrol. It has a role as a plant metabolite. It is a cedranesesquiterpenoid and a tertiary alcohol.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

222.198365449 g/mol

Monoisotopic Mass

222.198365449 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

321

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: Millettia thonningii
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