Cas no 32911-62-9 (Withanolide A)

Withanolide A structure
Withanolide A structure
Product Name:Withanolide A
CAS No:32911-62-9
MF:C28H38O6
MW:470.597729206085
MDL:MFCD07779143
CID:308683
PubChem ID:329830454
Update Time:2025-04-19

Withanolide A Chemical and Physical Properties

Names and Identifiers

    • Withanolide A
    • Ergosta-2,24-dien-26-oicacid, 6,7-epoxy-5,20,22-trihydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)-
    • WITHANOLIDE A(P)
    • WITHANOLIDE A(SH)
    • A,6
    • A,7
    • A-lactone
    • CHEMBL445041
    • (5α,6α,7α,22R)-6,7-Epoxy-5,20,22-trihydroxy-1-oxo-ergosta-2,24-dien-26-oic acid δ-lactone
    • Withaniol
    • 5,20alpha-Dihydroxy-6alpha,7alpha-epoxy-1-oxowitha-2,24-dienolide
    • Withanolide A, (+)-
    • (5alpha,6alpha,7alpha,22R)-5,20-Dihydroxy-6,7:22,26-diepoxyergosta-2,24-diene-1,26-dione
    • 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.0^{2,4}.0^{5,10}.0^{14,18}]octadec-7-en-9-one
    • CHEBI:175683
    • Withanolide A, analytical standard
    • 32911-62-9
    • XW164988
    • V903234S8G
    • Q27291676
    • MS-28704
    • AKOS040760756
    • (5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5,20-DIHYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
    • DTXSID70461487
    • CS-0068468
    • WITHANOLIDE A [USP-RS]
    • 15-[1-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
    • Withanolide A, United States Pharmacopeia (USP) Reference Standard
    • (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
    • Withanolide A, >=95% (HPLC)
    • UNII-V903234S8G
    • E87198
    • HY-N7028
    • (+)-Withanolide A
    • 6,7-Epoxy-5,20-dihydroxy-1-oxowitha-2,24-dienolide
    • NS00018019
    • LMST01160019
    • FT-0775606
    • DTXCID00412306
    • DA-59138
    • WITHANOLIDE A (USP-RS)
    • (1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-((1R)-1-((2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl)-5-hydroxy-10,14-dimethyl-3-oxapentacyclo(9.7.0.02,4.05,10.014,18)octadec-7-en-9-one
    • DXWHOKCXBGLTMQ-SFQAJKIESA-N
    • WITHANOLIDE A (CONSTITUENT OF ASHWAGANDHA ROOT)
    • MDL: MFCD07779143
    • Inchi: 1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
    • InChI Key: DXWHOKCXBGLTMQ-SFQAJKIESA-N
    • SMILES: O1[C@@H]2[C@]3(CC=CC([C@]3(C)[C@H]3CC[C@]4(C)[C@@H]([C@](C)([C@H]5CC(C)=C(C)C(=O)O5)O)CC[C@H]4[C@@H]3[C@H]12)=O)O

Computed Properties

  • Exact Mass: 470.26700
  • Monoisotopic Mass: 470.26683893 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 2
  • Complexity: 1030
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 470.6
  • XLogP3: 3.3
  • Topological Polar Surface Area: 96.4?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.264
  • Melting Point: 305 oC (dec.)
  • Boiling Point: 651.6±55.0 °C at 760 mmHg
  • Flash Point: 215.7±25.0 °C
  • Solubility: methanol: soluble1mg/mL, clear, colorless
  • PSA: 96.36000
  • LogP: 3.49540
  • Vapor Pressure: 0.0±4.4 mmHg at 25°C

Withanolide A Pricemore >>

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