Structure

Withaferin A

CAS
5119-48-2
Catalog Number
ACM5119482
Category
Other Products
Molecular Weight
470.59
Molecular Formula
C28H38O6

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Specification

Synonyms
Nsc 101088
Canonical SMILES
CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO
Boiling Point
680.7 °C at 760 mmHg (Predicted)
Melting Point
252-253°C
Density
1.28
Hazard Statements
T
What is the molecular formula of Withaferin A?

The molecular formula of Withaferin A is C28H38O6.

When was Withaferin A first created,?

Withaferin A was first created on 2005-03-26.

What is the molecular weight of Withaferin A?

The molecular weight of Withaferin A is 470.6 g/mol.

Where is Withaferin A isolated from,?

Withaferin A is isolated from Physalis longifolia.

What is the role of Withaferin A?

Withaferin A has a role as an antineoplastic agent and an apoptosis inducer.

What is the IUPAC name of Withaferin A?

The IUPAC name of Withaferin A is (1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-15-[(1S)-1-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.0 2,7 .0 7,9 .0 12,16 ]octadec-4-en-3-one.

What is the InChIKey of Withaferin A?

The InChIKey of Withaferin A is DBRXOUCRJQVYJQ-CKNDUULBSA-N.

What is the CAS number for Withaferin A?

The CAS number for Withaferin A is 5119-48-2.

How many hydrogen bond donor counts does Withaferin A have?

Withaferin A has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of Withaferin A?

The XLogP3-AA value of Withaferin A is 3.8.

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