Albrassitriol

Inquiry

For Research Use Only.

Category

Sesquiterpenoids

Cat.No.

NP5793

CAS

110557-39-6

Product Name

Albrassitriol

Structure

Product Details

Description

It is a metabolite of Alternaria brassiae.

Synonyms

(1R-(1alpha,4alpha,4aalpha,8abeta))-1,4,4a,5,6,7,8,8a-Octahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-1,4-naphthalenediol; 1,4-Naphthalenediol, 1,4,4a,5,6,7,8,8a-octahydro-1-(hydroxymethyl)-2,5,5,8a-tetramethyl-, (1R-(1alpha,4alpha,4aalpha,8abeta))-

IUPAC Name

(1S,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol

Molecular Weight

254.37

Molecular Formula

C15H26O3

Canonical SMILES

CC1=CC(C2C(CCCC2(C1(CO)O)C)(C)C)O

InChI

InChI=1S/C15H26O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,11-12,16-18H,5-7,9H2,1-4H3/t11-,12-,14-,15+/m0/s1

InChIKey

RWPFZPBMMIWKKY-NZBPQXDJSA-N

Boiling Point

387.5±42.0°C at 760 mmHg

Melting Point

100-104°C

Purity

≥98%

Density

1.1±0.1 g/cm3

Solubility

Soluble in Methanol

Appearance

Amorphous Powder

Storage

Store at -20°C

Form

Powder

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