6α-Chloro-5β-hydroxywithaferin A

6α-Chloro-5β-hydroxywithaferin A is a withanolide that can be isolated from W. somnifera. W. somnifera has antioxidant, anti-inflammatory, immunomodulatory, anticarcinogenic, antibacterial antiparkinsonism and antistress properties.

Product information

CAS Number: 52329-20-1

Molecular Weight: 507.06

Formula: C28H39ClO6

Chemical Name: (6R)-6-[(1S)-1-[(1R,3aS,3bS,5S,5aR,6S,9aR,9bS,11aS)-5-chloro-1,3a,3b,9b-tetrahydrogenio-5a,6-dihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-6-hydrogenio-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one

Smiles: CC1C[C@@H](OC(=O)C=1CO)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C

InChiKey: YCFROFMCBMCGDC-PNJOURQRSA-N

InChi: InChI=1S/C28H39ClO6/c1-14-11-21(35-25(33)17(14)13-30)15(2)18-5-6-19-16-12-22(29)28(34)24(32)8-7-23(31)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-22,24,30,32,34H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,22-,24-,26+,27-,28-/m0/s1

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Xiaoqin Tong, et al. Chlorinated withanolides from Withania somnifera. Phytochem Lett. 2011 Dec; 4(4): 411-414.

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