Bisabolol oxide B

Bisabolol oxide B
Compound Structure:
Synonyms: Bisabolol oxide B;55399-12-7;alpha-Bisabolol oxide B;Tetrahydro-alpha,alpha,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)furan-2-methanol;2-[5-methyl-5-(4-methylcyclohex-3-en-1-yl)oxolan-2-yl]propan-2-ol;Bisabolol oxide II
Compound ID: NMPC-680
PubChem ID:

117301
Molecular Formula: C15H26O2
Canonical SMILES: CC1=CCC(CC1)C2(CCC(O2)C(C)(C)O)C
InChIKey: RKBAYVATPNYHLW-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

238.37 g/mol

XLogP3-AA

2.5

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

238.193280068 g/mol

Monoisotopic Mass

238.193280068 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

319

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem            
Source Species: Mucuna pruriens
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