Cas no 99081-78-4 ((3beta,22E,24S)-3-Hydroxyergosta-5,22-dien-7-one)

(3beta,22E,24S)-3-Hydroxyergosta-5,22-dien-7-one structure
99081-78-4 structure
Product Name:(3beta,22E,24S)-3-Hydroxyergosta-5,22-dien-7-one
CAS No:99081-78-4
MF:C28H44O2
MW:412.647768974304
CID:2017923
Update Time:2025-03-10

(3beta,22E,24S)-3-Hydroxyergosta-5,22-dien-7-one Chemical and Physical Properties

Names and Identifiers

    • (3beta,22E,24S)-3-Hydroxyergosta-5,22-dien-7-one
    • (3β,22E,24S)-3-Hydroxyergosta-5,22-dien-7-one
    • Inchi: 1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-24,26,29H,9-15H2,1-6H3/b8-7+/t18-,19-,21+,22-,23+,24+,26+,27+,28-/m1/s1
    • InChI Key: XVPOQMASFXVKPP-HXTPBDHLSA-N
    • SMILES: [C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)/C=C/[C@H](C(C)C)C)CC3)C(=O)C=2

Experimental Properties

  • Density: 1.03±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
  • Boiling Point: 524.1±29.0 °C(Predicted)
  • pka: 14.68±0.70(Predicted)
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