epi-γ-Eudesmol

epi-γ-Eudesmol
Compound Structure:
Synonyms: (-)-10-epi--Eudesmol; 10-epi--Eudesmol; epi-Eudesmol; 2-Naphthalenemethanol, 1,2,3,4,4a,5,6,7-octahydro-alpha,alpha,4a,8-tetramethyl-, (2R-trans)-
Compound ID: NMPC-1017
PubChem ID:

6430754

Molecular Formula: C15H26O
Canonical SMILES: CC1=C2CC(CCC2(CCC1)C)C(C)(C)O
InChIKey: WMOPMQRJLLIEJV-DOMZBBRYSA-N
About the compound:

10-epi-gamma-eudesmol is a eudesmanesesquiterpenoid in which the eudesmane skeleton carries a hydroxy substituent at C-11, has a double bond between C-4 and C-5 and has inversion of configuration at C-10. It has a role as a volatile oil component.

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

3.4

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

20.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

313

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

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: Phyllanthus muellerianus
Tithonia rotundifolia
Pteris togoensis
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