Cabreuva oxide D

Cabreuva oxide D
Compound Structure:
Synonyms: Cabreuva oxide D;(3R,4aS,8aR)-3-ethenyl-1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-isochromene;CHEBI:195973;(3R,4aS,8aR)-1,1,3,6-Tetramethyl-3-vinyl-3,4,4a,7,8,8a-hexahydro-1H-isochromene
Compound ID: NMPC-704
PubChem ID:

/21603104
Molecular Formula: C15H24O
Canonical SMILES: CC1=CC2CC(OC(C2CC1)(C)C)(C)C=C
InChIKey: NIGRJVWIKNICMW-NFAWXSAZSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

220.35 g/mol

XLogP3-AA

3.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

1

Exact Mass

220.182715385 g/mol

Monoisotopic Mass

220.182715385 g/mol

Topological Polar Surface Area

9.2Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

326

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

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: Mucuna pruriens
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