12-Oxocalanolide A

Inquiry

For Research Use Only.

Category

Coumarins

Cat.No.

NP1151

CAS

161753-49-7

Product Name

12-Oxocalanolide A

Structure

Product Details

Description

12-Oxocalanolide A is a chromanone derivative that is isolated from Calophyllum polyanthum. 12-Oxocalanolide A is identified as a HIV-1 reverse transcriptase (RT) inhibitor and exhibits activity against a variety of viruses selected for resistance to other HIV-1 nonnucleoside RT inhibitors.

Synonyms

(+)-12-Oxocalanolide A

IUPAC Name

(16R,17R)-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione

Molecular Weight

368.429

Molecular Formula

C22H24O5

Canonical SMILES

CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)C(C(O4)C)C

InChI

InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1

InChIKey

HQVBDUZROQMWRN-VXGBXAGGSA-N

Boiling Point

546.7±50.0 °C at 760 mmHg

Flash Point

298.4±18.1 °C

Purity

≥98% (HPLC)

Density

1.2±0.1 g/cm3

Solubility

In vitro:
10 mM in DMSO

Appearance

Yellow powder

Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Form

Powder

Vapor Pressure

0.0±1.5 mmHg at 25°C

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