Ledene hydrate

Ledene hydrate
Compound Structure:
Synonyms: (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene;hydrate; Ledene hydrate
Compound ID: NMPC-1194
PubChem ID:

129733216
Molecular Formula: C15H26O
Canonical SMILES: CC1CCC2=C(CCC3C(C12)C3(C)C)C.O
InChIKey: NWBNLIMPCVOXFA-VNQMUNOFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

222.37 g/mol

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

1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

321

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

2

Compound Is Canonicalized

Yes

Source: PubChem            
Source Species: Gongronema latifolium
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