Cas no 107168-59-2 (Gorgostane-3,5,6-triol,(3b,5a,6b)- (9CI))

Gorgostane-3,5,6-triol,(3b,5a,6b)- (9CI) structure
107168-59-2 structure
Product Name:Gorgostane-3,5,6-triol,(3b,5a,6b)- (9CI)
CAS No:107168-59-2
MF:C30H52O3
MW:460.732089996338
CID:200567
Update Time:2024-03-01

Gorgostane-3,5,6-triol,(3b,5a,6b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Gorgostane-3,5,6-triol,(3b,5a,6b)- (9CI)
    • (-)-XeniasterolC
    • Xeniasterol C
    • Gorgostane-3,5,6-triol, (3β,5α,6β)- (9CI)
    • Inchi: 1S/C30H52O3/c1-17(2)19(4)28(6)16-25(28)18(3)22-8-9-23-21-14-26(32)30(33)15-20(31)10-13-29(30,7)24(21)11-12-27(22,23)5/h17-26,31-33H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23-,24-,25+,26+,27+,28+,29+,30-/m0/s1
    • InChI Key: JDKLXPMSWZQNGC-SQSXSBKSSA-N
    • SMILES: [C@@H]1(O)C[C@@]2(O)[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)[C@H]1C[C@@]1([C@@H](C(C)C)C)C)CC3)C[C@H]2O

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.083±0.06 g/cm3(Predicted)
  • Boiling Point: 539.7±40.0 °C(Predicted)
  • PSA: 52.54
  • pka: 14.26±0.70(Predicted)
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