2-Butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

CAS

989-54-8

Catalog Number

ACM989548

Category

Other Products

Molecular Weight

460.517 g/mol

Molecular Formula

C₂₅H₃₂O₈

MSDS COA Spec Sheet

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Specification

Synonyms

p-Aspidin, Paraaspidin, p-Aspidin BB, BRN 2230587, Butyrophenone, 3-((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2,6-dihydroxy-4-methoxy-5-methyl-, 989-54-8, AC1L22J2, LS-48298, 3-08-00-04399 (Beilstein Handbook Reference), 2-butanoyl-4-(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylbenzyl)-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one, 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

IUPAC Name

2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

Canonical SMILES

CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)OC)C)O

InChI Key

RHHXCNHESMAVTJ-UHFFFAOYSA-N

Exact Mass

460.21000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of p-Aspidin?

The molecular formula of p-Aspidin is C25H32O8.

What are some synonyms for p-Aspidin mentioned in the reference?

Some synonyms for p-Aspidin mentioned in the reference are p-Aspidin BB, Paraaspidin, and Butyrophenone.

When was p-Aspidin created and last modified according to the reference?

p-Aspidin was created on 2005-03-27 and last modified on 2023-12-30.

What is the IUPAC Name of p-Aspidin?

The IUPAC Name of p-Aspidin is 2-butanoyl-4-[(3-butanoyl-2,4-dihydroxy-6-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one.

What is the InChIKey of p-Aspidin?

The InChIKey of p-Aspidin is RHHXCNHESMAVTJ-UHFFFAOYSA-N.

What is the Canonical SMILES of p-Aspidin?

The Canonical SMILES of p-Aspidin is CCCC(=O)C1=C(C(=C(C(=C1O)C)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O.

What is the CAS number for p-Aspidin?

The CAS number for p-Aspidin is 989-54-8.

What is the molecular weight of p-Aspidin?

The molecular weight of p-Aspidin is 460.5 g/mol.

How many hydrogen bond donor counts does p-Aspidin have?

p-Aspidin has 4 hydrogen bond donor counts.

What is the XLogP3-AA value of p-Aspidin?

The XLogP3-AA value of p-Aspidin is 4.1.