Cas no 30899-98-0 (Stigmastanol, (5b)-)

Stigmastanol, (5b)- structure
Stigmastanol, (5b)- structure
Product Name:Stigmastanol, (5b)-
CAS No:30899-98-0
MF:C29H52O
MW:416.722589492798
CID:317333
PubChem ID:71361417
Update Time:2025-04-19

Stigmastanol, (5b)- Chemical and Physical Properties

Names and Identifiers

    • Stigmastanol, (5b)-
    • Coprositostanol
    • 5beta-Stigmastanol
    • (5beta)-Stigmastan-29-ol
    • 30899-98-0
    • DTXSID70785115
    • Inchi: 1S/C29H52O/c1-20(2)22(16-19-30)10-9-21(3)25-13-14-26-24-12-11-23-8-6-7-17-28(23,4)27(24)15-18-29(25,26)5/h20-27,30H,6-19H2,1-5H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
    • InChI Key: IJSLGIMUXIRGLK-XWEDIQBQSA-N
    • SMILES: OCC[C@@H](C(C)C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C

Computed Properties

  • Exact Mass: 416.40206
  • Monoisotopic Mass: 416.401816278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 7
  • Complexity: 569
  • 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: 10.5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
Recommended suppliers
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.