Cas no 38746-57-5 (C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)-)

C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)- structure
38746-57-5 structure
Product Name:C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)-
CAS No:38746-57-5
MF:C32H52O3
MW:484.753490447998
CID:311177
PubChem ID:3082493
Update Time:2025-04-19

C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)- Chemical and Physical Properties

Names and Identifiers

    • C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)-
    • LogP
    • [(1S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-1,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-3-enyl] acetate
    • DTXSID50959559
    • 11-Hydroxy-4,4,7a,10,10,13a,15b-heptamethyl-2,3,4,4a,5,7,7a,8,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalen-3-yl acetate
    • 38746-57-5
    • Serratenediol-21-acetate
    • Inchi： 1S/C32H52O3/c1-20(33)35-27-15-18-31(7)22-10-12-25-30(6,19-21(22)9-11-23(31)29(27,4)5)16-13-24-28(2,3)26(34)14-17-32(24,25)8/h9,22-27,34H,10-19H2,1-8H3/t22-,23-,24-,25-,26-,27-,30-,31+,32-/m0/s1
    • InChI Key： BCRIHVCDVNFYHV-HOZQILAUSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@H]23)OC(C)=O)C1(C)C

Computed Properties

  • Exact Mass: 484.39186
  • Monoisotopic Mass: 484.39164552g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 2
  • Complexity: 901
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 8.1
  • Topological Polar Surface Area: 46.5?2

Experimental Properties

  • PSA: 46.53

C(14a)-Homo-27-norgammacer-14-ene-3,21-diol, 21-acetate, (3beta,21alpha)- Related Literature

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