β-Rotunol

Inquiry

For Research Use Only.

Category

Sesquiterpene

Cat.No.

NP5704

CAS

24405-57-0

Product Name

β-Rotunol

Structure

Description

β-Rotunol, also called (4aR)-4a,5,6,7,8,8a-Hexahydro-4aα-hydroxy-6α-isopropenyl-4,8aα-dimethylnaphthalene-2(1H)-one is a natural compound.

Synonyms

(4aR)-4a,5,6,7,8,8a-Hexahydro-4aα-hydroxy-6α-isopropenyl-4,8aα-dimethylnaphthalene-2(1H)-one

IUPAC Name

(4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one

Molecular Weight

234.33

Molecular Formula

C15H22O2

Canonical SMILES

CC1=CC(=O)CC2(C1(CC(CC2)C(=C)C)O)C

InChI

InChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3/t12-,14+,15+/m1/s1

InChIKey

WDFLKCAWQQMJCA-SNPRPXQTSA-N

Boiling Point

351.4±42.0 °C(Predicted)

Melting Point

118-119 °C

Purity

>95%

Density

1.073±0.06 g/cm3(Predicted)

Appearance

Powder

pKa

13.40±0.70(Predicted)

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