Neointermedeol

Neointermedeol
Compound Structure:
Synonyms: (1S,4aR,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
Compound ID: NMPC-1298
PubChem ID:

11877394
Molecular Formula: C15H26O
Canonical SMILES: CC(=C)C1CCC2(CCCC(C2C1)(C)O)C
InChIKey: DPQYOKVMVCQHMY-TUVASFSCSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

XLogP3-AA

4.5

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

296

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: Greenwayodendron suaveolens
Pentaclethra macrophylla
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