Cas no 30655-48-2 (Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-)

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- structure
30655-48-2 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
CAS No:30655-48-2
MF:C28H38O6
MW:470.597729206085
CID:305308
PubChem ID:161671
Update Time:2025-04-19

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- Chemical and Physical Properties

Names and Identifiers

    • Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
    • Withanolide D
    • Withanolide
    • WITHANOLIDE D(P)
    • Withania Somnifera
    • Ashwagandha
    • (4 beta,5 beta,6 beta,22R)-5,6-epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
    • 5beta-ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6beta-EPOXY-4beta,20,22-TRIHYDROXY-1-OXO-, delta-LACTONE, (20S,22R)-
    • WITHANIA SOMNIFERA
    • [(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxy-ethyl]-hydroxy-dimethyl-[?]one
    • (4beta,5beta,6beta,22R)-5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid, delta-lactone
    • (1S,2R,6S,7R,9R,11S,12S,15S,16S)-15-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-6-hydroxy-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
    • ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6-EPOXY-4,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (4.BETA.,5.BETA.,6.BETA.,22R)-
    • XY366XV8JT
    • (4beta,5beta,6beta,22R)-4,20-dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
    • SCHEMBL2231859
    • C08842
    • NSC-179841
    • Dihydrowithanolide D
    • DTXSID901317760
    • UNII-XY366XV8JT
    • WithanolideD
    • 4beta,20alpha-dihydroxy-1-oxo-5beta,6beta-epoxy-20S,22R-witha-2,24-dienolide
    • NSC 179841
    • 5,6-Epoxy-4,20,22-trihydroxy-1-oxoergosta-2,24-dien-26-oic acid delta-lactone
    • 30655-48-2
    • CHEBI:10041
    • ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6-EPOXY-4,20,22-TRIHYDROXY-1-OXO-, delta-LACTONE, (4beta,5beta,6beta,22R)-
    • Q27089384
    • 5.BETA.-ERGOSTA-2,24-DIEN-26-OIC ACID, 5,6.BETA.-EPOXY-4.BETA.,20,22-TRIHYDROXY-1-OXO-, .DELTA.-LACTONE, (20S,22R)-
    • CHEMBL4288984
    • NS00125219
    • (20R,22R)-5beta,6beta-epoxy-4beta,20-dihydroxy-1-oxowith-2-en-24-enolide
    • 4,20-Dihydroxy-5,6:22,26-diepoxyergosta-2,24-diene-1,26-dione
    • NSC179841
    • DTXSID40865554
    • 5,6-Epoxy-4,20-dihydroxy-1-oxowitha-2,24-dienolide; (4β,5β,6β,20S)-form
    • 5,6-Epoxy-4,20-dihydroxy-1-oxowitha-2,24-dienolide; (4β,5β,6β,20R)-form
    • Withaferin D
    • Inchi： 1S/C28H38O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,21-23,30,32H,6-7,10-13H2,1-5H3/t16-,17-,18-,19-,21-,22+,23+,25-,26-,27+,28+/m0/s1
    • InChI Key： SASUFNRGCZMRFD-JCUIILOWSA-N
    • SMILES： O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@](C)([C@H]5CC(C)=C(C)C(=O)O5)O)[C@@]4(C)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)O)=O)C

Computed Properties

  • Exact Mass: 470.26700
  • Monoisotopic Mass: 470.26683893g/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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 96.4?2

Experimental Properties

  • PSA: 96.36000
  • LogP: 3.49540

Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- Related Literature

Related Categories

30655-48-2 (Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-) Related Products

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