Cas no 154993-52-9 (3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-O-Tetradecanoyl)

3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-O-Tetradecanoyl structure
154993-52-9 structure
Product Name:3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-O-Tetradecanoyl
CAS No:154993-52-9
MF:C42H74O5
MW:659.033974170685
CID:6739453
Update Time:2024-03-03

3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-O-Tetradecanoyl Chemical and Physical Properties

Names and Identifiers

    • 3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-O-Tetradecanoyl
    • Inchi: 1S/C42H74O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-38(44)47-31-22-24-42(7)35-23-25-41(6)33(30(5)40(46)39(45)29(4)28(2)3)20-21-34(41)32(35)27-37(43)36(42)26-31/h28-36,39-40,45-46H,8-27H2,1-7H3
    • InChI Key: QHXCSFDQHIRPOP-UHFFFAOYSA-N
    • SMILES: CCCCCCCCCCCCCC(OC1CC2C(C3C(CC2=O)C2C(C(C(C(C(C(C(C)C)C)O)O)C)CC2)(C)CC3)(C)CC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 47
  • XLogP3: 13.508

3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-O-Tetradecanoyl Related Literature

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