Cas no 19891-82-8 ((5alpha,6beta,22R)-5,6,27-trihydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione)

(5alpha,6beta,22R)-5,6,27-trihydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione structure
19891-82-8 structure
Product Name:(5alpha,6beta,22R)-5,6,27-trihydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione
CAS No:19891-82-8
MF:C28H40O6
MW:472.613609313965
CID:908604
PubChem ID:268947
Update Time:2025-04-19

(5alpha,6beta,22R)-5,6,27-trihydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione Chemical and Physical Properties

Names and Identifiers

    • (5alpha,6beta,22R)-5,6,27-trihydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione
    • (22R)-5,6β,22,27-Tetrahydroxy-1-oxo-5α-ergosta-2,24-dien-26-oic acid δ-lactone
    • Jaborosalactone D
    • NSC109439
    • NCI60_000224
    • NSC-329504
    • 19891-82-8
    • CHEMBL465480
    • NSC-109439
    • AKOS040735420
    • (22R)-5,6beta,22,27-Tetrahydroxy-1-oxo-5alpha-ergosta-2,24-dien-26-oic acid delta-lactone
    • NSC329504
    • Acnistoferin
    • (2R)-2-[(1S)-1-[(5R,6R,8S,9S,10R,13S,14S,17R)-5,6-dihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-(hydroxymethyl)-4-methyl-2,3-dihydropyran-6-one
    • Inchi： 1S/C28H40O6/c1-15-12-22(34-25(32)18(15)14-29)16(2)19-7-8-20-17-13-24(31)28(33)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29,31,33H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28-/m0/s1
    • InChI Key： LDWRZKAVHDHGID-VZGLNVPESA-N
    • SMILES： O[C@]12CC=CC([C@]1(C)[C@H]1CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC(C)=C(CO)C(=O)O4)CC[C@H]3[C@@H]1C[C@H]2O)=O

Computed Properties

  • Exact Mass: 472.28248899g/mol
  • Monoisotopic Mass: 472.28248899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 3
  • Complexity: 953
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • Color/Form: Powder

(5alpha,6beta,22R)-5,6,27-trihydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione Related Literature

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