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Merck
CN

SMB00532

Amorfrutin B

≥85% (NMR)

Synonym(s):

3-(3,7-dimethyloctyl)-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid

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About This Item

Empirical Formula (Hill Notation):
C26H32O4
CAS Number:
Molecular Weight:
408.53
UNSPSC Code:
12352205
PubChem Substance ID:
NACRES:
NA.25
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assay

≥85% (NMR)

form

solid

solubility

DMSO: 1 mg/mL

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

storage temp.

−20°C

SMILES string

CC(C)=CCC/C(C)=C/CC1=C(OC)C=C(CCC2=CC=CC=C2)C(C(O)=O)=C1O

InChI

1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+

InChI key

DKNIJLWIVUCTHW-CPNJWEJPSA-N

General description

Natural product derived from plant source.


Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable



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