Alloaromadendrene oxide

Alloaromadendrene oxide
Compound Structure:
Synonyms: Aromadendrene oxide
Compound ID: NMPC-569
PubChem ID:

91753455
Molecular Formula: C15H24O
Canonical SMILES: CC1CCC2C1C3C(C3(C)C)CCC24CO4
InChIKey: XPGWKKLDFXNBPJ-MWZQVCBASA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

3.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

12.5Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

334

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

2

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
Pentaclethra macrophylla
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